3,4-dihydro-2H-pyridin-5-one;ethane

C9H19NO — CID 123374363

IUPAC3,4-dihydro-2H-pyridin-5-one;ethane
SMILESCC.CC.O=C1C=NCCC1
InChIInChI=1S/C5H7NO.2C2H6/c7-5-2-1-3-6-4-5;2*1-2/h4H,1-3H2;2*1-2H3
InChIKeyCBNWQDPRHXAPHQ-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.47
Rot. Bonds

About 3,4-dihydro-2H-pyridin-5-one;ethane

3,4-dihydro-2H-pyridin-5-one;ethane (PubChem CID 123374363) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyridin-5-one;ethane.

Molecular Properties

Compound Name3,4-dihydro-2H-pyridin-5-one;ethane
PubChem CID123374363
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3,4-dihydro-2H-pyridin-5-one;ethane
SMILESCC.CC.O=C1C=NCCC1
InChIInChI=1S/C5H7NO.2C2H6/c7-5-2-1-3-6-4-5;2*1-2/h4H,1-3H2;2*1-2H3
InChIKeyCBNWQDPRHXAPHQ-UHFFFAOYSA-N
XLogP2.47
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,4-dihydro-2H-pyridin-5-one;ethane 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

5,6-Dihydropyridin-3(4h)-one
CID 20691666
Dehydro-3-piperidone hydrochloride
CID 129812978
1,5-Bis(propylideneamino)pentan-3-one
CID 56989182
4-methyl-3,4-dihydro-2H-pyridin-5-one
CID 67075998
3-methyl-3,4-dihydro-2H-pyridin-5-one
CID 91349977
5-(Ethylideneamino)pentan-2-one
CID 123813903
1-(Propylideneamino)pentan-2-one
CID 158146616

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyridin-5-one;ethane?
The IUPAC name of 3,4-dihydro-2H-pyridin-5-one;ethane (CID 123374363) is 3,4-dihydro-2H-pyridin-5-one;ethane.
What is the SMILES notation for 3,4-dihydro-2H-pyridin-5-one;ethane?
The canonical SMILES for 3,4-dihydro-2H-pyridin-5-one;ethane is CC.CC.O=C1C=NCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyridin-5-one;ethane?
The InChIKey is CBNWQDPRHXAPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO.2C2H6/c7-5-2-1-3-6-4-5;2*1-2/h4H,1-3H2;2*1-2H3.
What are the key properties of 3,4-dihydro-2H-pyridin-5-one;ethane?
3,4-dihydro-2H-pyridin-5-one;ethane has a molecular weight of 157.26 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyridin-5-one;ethane is sourced from PubChem (CID 123374363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).