1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]pyrrolidin-2-one

C26H30N2O — CID 44454720

IUPAC1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]pyrrolidin-2-one
SMILESC1CC(=O)N(C1)CCC2=CC=C(C=C2)C3=CCC4C3CN(C4)CC5=CC=CC=C5
InChIInChI=1S/C26H30N2O/c29-26-7-4-15-28(26)16-14-20-8-10-22(11-9-20)24-13-12-23-18-27(19-25(23)24)17-21-5-2-1-3-6-21/h1-3,5-6,8-11,13,23,25H,4,7,12,14-19H2
InChIKeyZBSRSMRKEMXADB-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.70
Rot. Bonds6

About 1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]pyrrolidin-2-one

1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]pyrrolidin-2-one (PubChem CID 44454720) has the molecular formula C26H30N2O and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]pyrrolidin-2-one
PubChem CID44454720
Molecular FormulaC26H30N2O
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC Name1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]pyrrolidin-2-one
SMILESC1CC(=O)N(C1)CCC2=CC=C(C=C2)C3=CCC4C3CN(C4)CC5=CC=CC=C5
InChIInChI=1S/C26H30N2O/c29-26-7-4-15-28(26)16-14-20-8-10-22(11-9-20)24-13-12-23-18-27(19-25(23)24)17-21-5-2-1-3-6-21/h1-3,5-6,8-11,13,23,25H,4,7,12,14-19H2
InChIKeyZBSRSMRKEMXADB-UHFFFAOYSA-N
XLogP3.70
TPSA23.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity600

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]pyrrolidin-2-one (CID 44454720) is 1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]pyrrolidin-2-one is C1CC(=O)N(C1)CCC2=CC=C(C=C2)C3=CCC4C3CN(C4)CC5=CC=CC=C5.
What is the InChIKey of 1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]pyrrolidin-2-one?
The InChIKey is ZBSRSMRKEMXADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O/c29-26-7-4-15-28(26)16-14-20-8-10-22(11-9-20)24-13-12-23-18-27(19-25(23)24)17-21-5-2-1-3-6-21/h1-3,5-6,8-11,13,23,25H,4,7,12,14-19H2.
What are the key properties of 1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]pyrrolidin-2-one?
1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]pyrrolidin-2-one has a molecular weight of 386.50 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 44454720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).