ethane;6-propyl-1H-pyridin-2-one

C10H17NO — CID 91445651

IUPACethane;6-propyl-1H-pyridin-2-one
SMILESCC.CCCc1cccc(=O)[nH]1
InChIInChI=1S/C8H11NO.C2H6/c1-2-4-7-5-3-6-8(10)9-7;1-2/h3,5-6H,2,4H2,1H3,(H,9,10);1-2H3
InChIKeyFCVUVYUROYUCHO-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.35
Rot. Bonds2

About ethane;6-propyl-1H-pyridin-2-one

ethane;6-propyl-1H-pyridin-2-one (PubChem CID 91445651) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is ethane;6-propyl-1H-pyridin-2-one.

Molecular Properties

Compound Nameethane;6-propyl-1H-pyridin-2-one
PubChem CID91445651
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Nameethane;6-propyl-1H-pyridin-2-one
SMILESCC.CCCc1cccc(=O)[nH]1
InChIInChI=1S/C8H11NO.C2H6/c1-2-4-7-5-3-6-8(10)9-7;1-2/h3,5-6H,2,4H2,1H3,(H,9,10);1-2H3
InChIKeyFCVUVYUROYUCHO-UHFFFAOYSA-N
XLogP2.35
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze ethane;6-propyl-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

Frequently Asked Questions

What is the IUPAC name of ethane;6-propyl-1H-pyridin-2-one?
The IUPAC name of ethane;6-propyl-1H-pyridin-2-one (CID 91445651) is ethane;6-propyl-1H-pyridin-2-one.
What is the SMILES notation for ethane;6-propyl-1H-pyridin-2-one?
The canonical SMILES for ethane;6-propyl-1H-pyridin-2-one is CC.CCCc1cccc(=O)[nH]1.
What is the InChIKey of ethane;6-propyl-1H-pyridin-2-one?
The InChIKey is FCVUVYUROYUCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.C2H6/c1-2-4-7-5-3-6-8(10)9-7;1-2/h3,5-6H,2,4H2,1H3,(H,9,10);1-2H3.
What are the key properties of ethane;6-propyl-1H-pyridin-2-one?
ethane;6-propyl-1H-pyridin-2-one has a molecular weight of 167.25 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-propyl-1H-pyridin-2-one is sourced from PubChem (CID 91445651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).