2,3-dihydro-1H-pyridin-6-one;ethane

C7H13NO — CID 142177681

IUPAC2,3-dihydro-1H-pyridin-6-one;ethane
SMILESCC.O=C1C=CCCN1
InChIInChI=1S/C5H7NO.C2H6/c7-5-3-1-2-4-6-5;1-2/h1,3H,2,4H2,(H,6,7);1-2H3
InChIKeyBBMOQRQRBVINJW-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.09
Rot. Bonds

About 2,3-dihydro-1H-pyridin-6-one;ethane

2,3-dihydro-1H-pyridin-6-one;ethane (PubChem CID 142177681) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyridin-6-one;ethane.

Molecular Properties

Compound Name2,3-dihydro-1H-pyridin-6-one;ethane
PubChem CID142177681
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2,3-dihydro-1H-pyridin-6-one;ethane
SMILESCC.O=C1C=CCCN1
InChIInChI=1S/C5H7NO.C2H6/c7-5-3-1-2-4-6-5;1-2/h1,3H,2,4H2,(H,6,7);1-2H3
InChIKeyBBMOQRQRBVINJW-UHFFFAOYSA-N
XLogP1.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,3-dihydro-1H-pyridin-6-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

Spilanthol
CID 5353001
N-Cyclopropylnona-2,6-dienamide, (2E,6Z)-
CID 11469606
2(1H)-Pyridone, 5,6-dihydro-
CID 6453994
N-Ethylnona-2,6-dienamide
CID 57351458
(2E,6Z)-N-ethylnona-2,6-dienamide
CID 11309884
8,9-Dehydropellitorine
CID 14427412
N-(2-Methylpropyl)-2,6,8-decatrienamide
CID 530394
2,4-Octadienamide, N-(2-methylpropyl)-, (E,E)-
CID 6479668
2,5,6,7-tetrahydro-1H-azepin-2-one
CID 557502
N-Isobutyl-2,4,8-decatrienamide
CID 87311177
N-(2-Methylpropyl)-2,6,8-decatrienamide, (2E,6E,8E)-
CID 11506817
1,2,5,6,7,8-Hexahydroazocin-2-one
CID 12706372

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyridin-6-one;ethane?
The IUPAC name of 2,3-dihydro-1H-pyridin-6-one;ethane (CID 142177681) is 2,3-dihydro-1H-pyridin-6-one;ethane.
What is the SMILES notation for 2,3-dihydro-1H-pyridin-6-one;ethane?
The canonical SMILES for 2,3-dihydro-1H-pyridin-6-one;ethane is CC.O=C1C=CCCN1.
What is the InChIKey of 2,3-dihydro-1H-pyridin-6-one;ethane?
The InChIKey is BBMOQRQRBVINJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO.C2H6/c7-5-3-1-2-4-6-5;1-2/h1,3H,2,4H2,(H,6,7);1-2H3.
What are the key properties of 2,3-dihydro-1H-pyridin-6-one;ethane?
2,3-dihydro-1H-pyridin-6-one;ethane has a molecular weight of 127.19 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyridin-6-one;ethane is sourced from PubChem (CID 142177681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).