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

C7H13NO — CID 123233041

IUPAC4,5-dihydro-3H-pyridin-2-one;ethane
SMILESCC.O=C1CCCC=N1
InChIInChI=1S/C5H7NO.C2H6/c7-5-3-1-2-4-6-5;1-2/h4H,1-3H2;1-2H3
InChIKeyJWHWZXSNOCHNQO-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.79
Rot. Bonds

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

4,5-dihydro-3H-pyridin-2-one;ethane (PubChem CID 123233041) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 4,5-dihydro-3H-pyridin-2-one;ethane.

Molecular Properties

Compound Name4,5-dihydro-3H-pyridin-2-one;ethane
PubChem CID123233041
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name4,5-dihydro-3H-pyridin-2-one;ethane
SMILESCC.O=C1CCCC=N1
InChIInChI=1S/C5H7NO.C2H6/c7-5-3-1-2-4-6-5;1-2/h4H,1-3H2;1-2H3
InChIKeyJWHWZXSNOCHNQO-UHFFFAOYSA-N
XLogP1.79
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-Dihydropyridin-2(5h)-one
CID 14384412
3,4-Dihydropyridine-5,6-dione
CID 69117004
3,4,5,6-Tetrahydro-2H-azepin-2-one
CID 14384414
3-methyl-4,5-dihydro-3H-pyridin-2-one
CID 57121914
(5S)-5-methyl-4,5-dihydro-3H-pyridin-2-one
CID 89024010
N-ethylidenebutanamide
CID 89371556
5-Methyliminopentanamide
CID 89530495
N-ethylidenepentanamide
CID 89981079
CID 90821447
CID 90821447
3,4-Dihydropyrrol-2-one;ethane
CID 123629012
4,4-Dimethyl-3,5-dihydropyridin-2-one
CID 153714555
N-propylidenebutanamide
CID 167276769

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-3H-pyridin-2-one;ethane?
The IUPAC name of 4,5-dihydro-3H-pyridin-2-one;ethane (CID 123233041) is 4,5-dihydro-3H-pyridin-2-one;ethane.
What is the SMILES notation for 4,5-dihydro-3H-pyridin-2-one;ethane?
The canonical SMILES for 4,5-dihydro-3H-pyridin-2-one;ethane is CC.O=C1CCCC=N1.
What is the InChIKey of 4,5-dihydro-3H-pyridin-2-one;ethane?
The InChIKey is JWHWZXSNOCHNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO.C2H6/c7-5-3-1-2-4-6-5;1-2/h4H,1-3H2;1-2H3.
What are the key properties of 4,5-dihydro-3H-pyridin-2-one;ethane?
4,5-dihydro-3H-pyridin-2-one;ethane has a molecular weight of 127.19 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-3H-pyridin-2-one;ethane is sourced from PubChem (CID 123233041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).