2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1H-pyrrol-2-yl)ethanone

C14H20N2O — CID 65319975

IUPAC2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
SMILESO=C(CN1CCCC2CCCC21)c1ccc[nH]1
InChIInChI=1S/C14H20N2O/c17-14(12-6-2-8-15-12)10-16-9-3-5-11-4-1-7-13(11)16/h2,6,8,11,13,15H,1,3-5,7,9-10H2
InChIKeyTXITYWDLZIUQOB-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.46
Rot. Bonds3

About 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1H-pyrrol-2-yl)ethanone

2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1H-pyrrol-2-yl)ethanone (PubChem CID 65319975) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
PubChem CID65319975
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
SMILESO=C(CN1CCCC2CCCC21)c1ccc[nH]1
InChIInChI=1S/C14H20N2O/c17-14(12-6-2-8-15-12)10-16-9-3-5-11-4-1-7-13(11)16/h2,6,8,11,13,15H,1,3-5,7,9-10H2
InChIKeyTXITYWDLZIUQOB-UHFFFAOYSA-N
XLogP2.46
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1H-pyrrol-2-yl)ethanone 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-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-phenylethanone
CID 65319775
2-(3-methylpiperidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 43219442
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-thiophen-2-ylethanone
CID 43228899
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(4-propan-2-ylphenyl)ethanone
CID 65319733
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-(4-bromophenyl)ethanone
CID 43228898
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 65319921
2-[4-(dimethylamino)piperidin-1-yl]-1-(1H-pyrrol-2-yl)ethanone
CID 43797318
2-(3-aminopyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 62068152
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1-benzofuran-3-yl)ethanone
CID 65320067
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-fluorophenyl)propan-1-one
CID 65324258
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-cyclopentylethanone
CID 104750870
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetic acid
CID 43409735

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1H-pyrrol-2-yl)ethanone?
The IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1H-pyrrol-2-yl)ethanone (CID 65319975) is 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1H-pyrrol-2-yl)ethanone is O=C(CN1CCCC2CCCC21)c1ccc[nH]1.
What is the InChIKey of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1H-pyrrol-2-yl)ethanone?
The InChIKey is TXITYWDLZIUQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c17-14(12-6-2-8-15-12)10-16-9-3-5-11-4-1-7-13(11)16/h2,6,8,11,13,15H,1,3-5,7,9-10H2.
What are the key properties of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1H-pyrrol-2-yl)ethanone?
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1H-pyrrol-2-yl)ethanone has a molecular weight of 232.33 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 65319975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).