4-ethenyl-2-[4-[[4-(6-ethenyl-4-methyl-1-methylidene-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)phenyl]methyl]phenyl]-6-methyl-1-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-3-one

C35H38N2O2 — CID 134502605

IUPAC4-ethenyl-2-[4-[[4-(6-ethenyl-4-methyl-1-methylidene-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)phenyl]methyl]phenyl]-6-methyl-1-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-3-one
SMILESC=CC1CC(C)C2C(=O)N(c3ccc(Cc4ccc(N5C(=C)C6C(C)CC(C=C)C6C5=O)cc4)cc3)C(=C)C12
InChIInChI=1S/C35H38N2O2/c1-7-26-18-21(4)31-32(26)23(6)37(34(31)38)29-15-11-25(12-16-29)19-24-9-13-28(14-10-24)36-22(5)30-20(3)17-27(8-2)33(30)35(36)39/h7-16,20-21,26-27,30-33H,1-2,5-6,17-19H2,3-4H3
InChIKeyCIRGYVIRKSERRE-UHFFFAOYSA-N
MW518.70 g/mol
LogP7.15
Rot. Bonds6

About 4-ethenyl-2-[4-[[4-(6-ethenyl-4-methyl-1-methylidene-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)phenyl]methyl]phenyl]-6-methyl-1-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-3-one

4-ethenyl-2-[4-[[4-(6-ethenyl-4-methyl-1-methylidene-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)phenyl]methyl]phenyl]-6-methyl-1-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-3-one (PubChem CID 134502605) has the molecular formula C35H38N2O2 and a molecular weight of 518.70 g/mol. Its IUPAC name is 4-ethenyl-2-[4-[[4-(6-ethenyl-4-methyl-1-methylidene-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)phenyl]methyl]phenyl]-6-methyl-1-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-3-one.

Molecular Properties

Compound Name4-ethenyl-2-[4-[[4-(6-ethenyl-4-methyl-1-methylidene-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)phenyl]methyl]phenyl]-6-methyl-1-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-3-one
PubChem CID134502605
Molecular FormulaC35H38N2O2
Molecular Weight518.70 g/mol
Exact Mass518.29
IUPAC Name4-ethenyl-2-[4-[[4-(6-ethenyl-4-methyl-1-methylidene-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)phenyl]methyl]phenyl]-6-methyl-1-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-3-one
SMILESC=CC1CC(C)C2C(=O)N(c3ccc(Cc4ccc(N5C(=C)C6C(C)CC(C=C)C6C5=O)cc4)cc3)C(=C)C12
InChIInChI=1S/C35H38N2O2/c1-7-26-18-21(4)31-32(26)23(6)37(34(31)38)29-15-11-25(12-16-29)19-24-9-13-28(14-10-24)36-22(5)30-20(3)17-27(8-2)33(30)35(36)39/h7-16,20-21,26-27,30-33H,1-2,5-6,17-19H2,3-4H3
InChIKeyCIRGYVIRKSERRE-UHFFFAOYSA-N
XLogP7.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.70
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-ethenyl-2-[4-[[4-(6-ethenyl-4-methyl-1-methylidene-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)phenyl]methyl]phenyl]-6-methyl-1-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-[4-[[4-(6-ethenyl-4-methyl-1-methylidene-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)phenyl]methyl]phenyl]-6-methyl-1-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-3-one?
The IUPAC name of 4-ethenyl-2-[4-[[4-(6-ethenyl-4-methyl-1-methylidene-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)phenyl]methyl]phenyl]-6-methyl-1-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-3-one (CID 134502605) is 4-ethenyl-2-[4-[[4-(6-ethenyl-4-methyl-1-methylidene-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)phenyl]methyl]phenyl]-6-methyl-1-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-3-one.
What is the SMILES notation for 4-ethenyl-2-[4-[[4-(6-ethenyl-4-methyl-1-methylidene-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)phenyl]methyl]phenyl]-6-methyl-1-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-3-one?
The canonical SMILES for 4-ethenyl-2-[4-[[4-(6-ethenyl-4-methyl-1-methylidene-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)phenyl]methyl]phenyl]-6-methyl-1-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-3-one is C=CC1CC(C)C2C(=O)N(c3ccc(Cc4ccc(N5C(=C)C6C(C)CC(C=C)C6C5=O)cc4)cc3)C(=C)C12.
What is the InChIKey of 4-ethenyl-2-[4-[[4-(6-ethenyl-4-methyl-1-methylidene-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)phenyl]methyl]phenyl]-6-methyl-1-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-3-one?
The InChIKey is CIRGYVIRKSERRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N2O2/c1-7-26-18-21(4)31-32(26)23(6)37(34(31)38)29-15-11-25(12-16-29)19-24-9-13-28(14-10-24)36-22(5)30-20(3)17-27(8-2)33(30)35(36)39/h7-16,20-21,26-27,30-33H,1-2,5-6,17-19H2,3-4H3.
What are the key properties of 4-ethenyl-2-[4-[[4-(6-ethenyl-4-methyl-1-methylidene-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)phenyl]methyl]phenyl]-6-methyl-1-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-3-one?
4-ethenyl-2-[4-[[4-(6-ethenyl-4-methyl-1-methylidene-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)phenyl]methyl]phenyl]-6-methyl-1-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-3-one has a molecular weight of 518.70 g/mol, XLogP of 7.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-[4-[[4-(6-ethenyl-4-methyl-1-methylidene-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)phenyl]methyl]phenyl]-6-methyl-1-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-3-one is sourced from PubChem (CID 134502605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).