(3E)-2-propyl-3-propylidene-8H-cyclohepta[c]pyrrol-1-one

C15H19NO — CID 142110493

IUPAC(3E)-2-propyl-3-propylidene-8H-cyclohepta[c]pyrrol-1-one
SMILESCC/C=C1\C2=C(CC=CC=C2)C(=O)N1CCC
InChIInChI=1S/C15H19NO/c1-3-8-14-12-9-6-5-7-10-13(12)15(17)16(14)11-4-2/h5-9H,3-4,10-11H2,1-2H3/b14-8+
InChIKeyCKMWNPYQAMRMMO-RIYZIHGNSA-N
MW229.32 g/mol
LogP3.35
Rot. Bonds3

About (3E)-2-propyl-3-propylidene-8H-cyclohepta[c]pyrrol-1-one

(3E)-2-propyl-3-propylidene-8H-cyclohepta[c]pyrrol-1-one (PubChem CID 142110493) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (3E)-2-propyl-3-propylidene-8H-cyclohepta[c]pyrrol-1-one.

Molecular Properties

Compound Name(3E)-2-propyl-3-propylidene-8H-cyclohepta[c]pyrrol-1-one
PubChem CID142110493
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(3E)-2-propyl-3-propylidene-8H-cyclohepta[c]pyrrol-1-one
SMILESCC/C=C1\C2=C(CC=CC=C2)C(=O)N1CCC
InChIInChI=1S/C15H19NO/c1-3-8-14-12-9-6-5-7-10-13(12)15(17)16(14)11-4-2/h5-9H,3-4,10-11H2,1-2H3/b14-8+
InChIKeyCKMWNPYQAMRMMO-RIYZIHGNSA-N
XLogP3.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3E)-2-propyl-3-propylidene-8H-cyclohepta[c]pyrrol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-6,7-dihydro-5H-indolizin-3-one
CID 122397881
8-Methylpyrido[1,2-a]azepin-6(7H)-one
CID 15129811
10-methyl-3,4,7,8-tetrahydro-2H-pyrido[1,2-a]azepin-6-one
CID 11298275
10-Methyl-2,3,7,8-tetrahydropyrido[1,2-a]azepin-4(6h)-one
CID 11446659
4H-Quinolizin-4-one, 2,3,6,7-tetrahydro-9-methyl-
CID 45088796
1-[(E)-hept-5-enyl]-6-prop-1-en-2-yl-3,4-dihydropyridin-2-one
CID 102245924
3-ethenyl-N-[(2Z,4Z)-3-fluorohepta-2,4,6-trien-2-yl]-N,4-dimethyl-2-propan-2-ylidenepent-3-enamide
CID 166126655
3-Ethyl-1,6-dimethylpyridin-2-one
CID 13597164
1-Methylcyclohepta[b]pyrrol-2(1H)-one
CID 14088581
1-Methyl-5-propan-2-ylcyclohepta[b]pyrrol-2-one
CID 20763159
5,6-ditert-butyl-1-methyl-2H-azepin-7-one
CID 23592088
2-Propan-2-yl-1,4-dihydrocyclopenta[c]pyrrol-3-one
CID 57698664

Frequently Asked Questions

What is the IUPAC name of (3E)-2-propyl-3-propylidene-8H-cyclohepta[c]pyrrol-1-one?
The IUPAC name of (3E)-2-propyl-3-propylidene-8H-cyclohepta[c]pyrrol-1-one (CID 142110493) is (3E)-2-propyl-3-propylidene-8H-cyclohepta[c]pyrrol-1-one.
What is the SMILES notation for (3E)-2-propyl-3-propylidene-8H-cyclohepta[c]pyrrol-1-one?
The canonical SMILES for (3E)-2-propyl-3-propylidene-8H-cyclohepta[c]pyrrol-1-one is CC/C=C1\C2=C(CC=CC=C2)C(=O)N1CCC.
What is the InChIKey of (3E)-2-propyl-3-propylidene-8H-cyclohepta[c]pyrrol-1-one?
The InChIKey is CKMWNPYQAMRMMO-RIYZIHGNSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-8-14-12-9-6-5-7-10-13(12)15(17)16(14)11-4-2/h5-9H,3-4,10-11H2,1-2H3/b14-8+.
What are the key properties of (3E)-2-propyl-3-propylidene-8H-cyclohepta[c]pyrrol-1-one?
(3E)-2-propyl-3-propylidene-8H-cyclohepta[c]pyrrol-1-one has a molecular weight of 229.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-propyl-3-propylidene-8H-cyclohepta[c]pyrrol-1-one is sourced from PubChem (CID 142110493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).