2-[[1,3-dioxo-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]methyl]-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

C27H34N2O4 — CID 157315258

IUPAC2-[[1,3-dioxo-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]methyl]-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCC=CC1CC(C=CC)C2C(=O)N(CN3C(=O)C4C(C=CC)CC(C=CC)C4C3=O)C(=O)C12
InChIInChI=1S/C27H34N2O4/c1-5-9-16-13-17(10-6-2)21-20(16)24(30)28(25(21)31)15-29-26(32)22-18(11-7-3)14-19(12-8-4)23(22)27(29)33/h5-12,16-23H,13-15H2,1-4H3
InChIKeyBDNBLZWJOLNCBE-UHFFFAOYSA-N
MW450.58 g/mol
LogP3.72
Rot. Bonds6

About 2-[[1,3-dioxo-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]methyl]-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

2-[[1,3-dioxo-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]methyl]-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 157315258) has the molecular formula C27H34N2O4 and a molecular weight of 450.58 g/mol. Its IUPAC name is 2-[[1,3-dioxo-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]methyl]-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-[[1,3-dioxo-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]methyl]-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID157315258
Molecular FormulaC27H34N2O4
Molecular Weight450.58 g/mol
Exact Mass450.25
IUPAC Name2-[[1,3-dioxo-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]methyl]-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCC=CC1CC(C=CC)C2C(=O)N(CN3C(=O)C4C(C=CC)CC(C=CC)C4C3=O)C(=O)C12
InChIInChI=1S/C27H34N2O4/c1-5-9-16-13-17(10-6-2)21-20(16)24(30)28(25(21)31)15-29-26(32)22-18(11-7-3)14-19(12-8-4)23(22)27(29)33/h5-12,16-23H,13-15H2,1-4H3
InChIKeyBDNBLZWJOLNCBE-UHFFFAOYSA-N
XLogP3.72
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[1,3-dioxo-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]methyl]-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 2-[[1,3-dioxo-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]methyl]-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 157315258) is 2-[[1,3-dioxo-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]methyl]-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-[[1,3-dioxo-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]methyl]-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-[[1,3-dioxo-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]methyl]-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is CC=CC1CC(C=CC)C2C(=O)N(CN3C(=O)C4C(C=CC)CC(C=CC)C4C3=O)C(=O)C12.
What is the InChIKey of 2-[[1,3-dioxo-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]methyl]-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is BDNBLZWJOLNCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O4/c1-5-9-16-13-17(10-6-2)21-20(16)24(30)28(25(21)31)15-29-26(32)22-18(11-7-3)14-19(12-8-4)23(22)27(29)33/h5-12,16-23H,13-15H2,1-4H3.
What are the key properties of 2-[[1,3-dioxo-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]methyl]-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
2-[[1,3-dioxo-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]methyl]-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 450.58 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1,3-dioxo-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]methyl]-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 157315258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).