ethane;3-ethyl-6-pyrrolidin-3-yl-1H-pyridin-2-one

C13H22N2O — CID 169149127

IUPACethane;3-ethyl-6-pyrrolidin-3-yl-1H-pyridin-2-one
SMILESCC.CCc1ccc(C2CCNC2)[nH]c1=O
InChIInChI=1S/C11H16N2O.C2H6/c1-2-8-3-4-10(13-11(8)14)9-5-6-12-7-9;1-2/h3-4,9,12H,2,5-7H2,1H3,(H,13,14);1-2H3
InChIKeyKPBHCCCPIZQUPQ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.04
Rot. Bonds2

About ethane;3-ethyl-6-pyrrolidin-3-yl-1H-pyridin-2-one

ethane;3-ethyl-6-pyrrolidin-3-yl-1H-pyridin-2-one (PubChem CID 169149127) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is ethane;3-ethyl-6-pyrrolidin-3-yl-1H-pyridin-2-one.

Molecular Properties

Compound Nameethane;3-ethyl-6-pyrrolidin-3-yl-1H-pyridin-2-one
PubChem CID169149127
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Nameethane;3-ethyl-6-pyrrolidin-3-yl-1H-pyridin-2-one
SMILESCC.CCc1ccc(C2CCNC2)[nH]c1=O
InChIInChI=1S/C11H16N2O.C2H6/c1-2-8-3-4-10(13-11(8)14)9-5-6-12-7-9;1-2/h3-4,9,12H,2,5-7H2,1H3,(H,13,14);1-2H3
InChIKeyKPBHCCCPIZQUPQ-UHFFFAOYSA-N
XLogP2.04
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze ethane;3-ethyl-6-pyrrolidin-3-yl-1H-pyridin-2-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

CID 74245334
CID 74245334
CID 125136966
CID 125136966
CID 164640053
CID 164640053
CID 169148618
CID 169148618
CID 137846194
CID 137846194
CID 137979381
CID 137979381
CID 56711017
CID 56711017
CID 56721706
CID 56721706
CID 15290982
CID 15290982
CID 18707401
CID 18707401
CID 19012292
CID 19012292
CID 19012418
CID 19012418

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-6-pyrrolidin-3-yl-1H-pyridin-2-one?
The IUPAC name of ethane;3-ethyl-6-pyrrolidin-3-yl-1H-pyridin-2-one (CID 169149127) is ethane;3-ethyl-6-pyrrolidin-3-yl-1H-pyridin-2-one.
What is the SMILES notation for ethane;3-ethyl-6-pyrrolidin-3-yl-1H-pyridin-2-one?
The canonical SMILES for ethane;3-ethyl-6-pyrrolidin-3-yl-1H-pyridin-2-one is CC.CCc1ccc(C2CCNC2)[nH]c1=O.
What is the InChIKey of ethane;3-ethyl-6-pyrrolidin-3-yl-1H-pyridin-2-one?
The InChIKey is KPBHCCCPIZQUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.C2H6/c1-2-8-3-4-10(13-11(8)14)9-5-6-12-7-9;1-2/h3-4,9,12H,2,5-7H2,1H3,(H,13,14);1-2H3.
What are the key properties of ethane;3-ethyl-6-pyrrolidin-3-yl-1H-pyridin-2-one?
ethane;3-ethyl-6-pyrrolidin-3-yl-1H-pyridin-2-one has a molecular weight of 222.33 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-6-pyrrolidin-3-yl-1H-pyridin-2-one is sourced from PubChem (CID 169149127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).