ethane;3H-pyridin-2-one

C9H17NO — CID 169216497

IUPACethane;3H-pyridin-2-one
SMILESCC.CC.O=C1CC=CC=N1
InChIInChI=1S/C5H5NO.2C2H6/c7-5-3-1-2-4-6-5;2*1-2/h1-2,4H,3H2;2*1-2H3
InChIKeyBQMMUEKOLVTRFL-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.60
Rot. Bonds

About ethane;3H-pyridin-2-one

ethane;3H-pyridin-2-one (PubChem CID 169216497) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is ethane;3H-pyridin-2-one.

Molecular Properties

Compound Nameethane;3H-pyridin-2-one
PubChem CID169216497
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Nameethane;3H-pyridin-2-one
SMILESCC.CC.O=C1CC=CC=N1
InChIInChI=1S/C5H5NO.2C2H6/c7-5-3-1-2-4-6-5;2*1-2/h1-2,4H,3H2;2*1-2H3
InChIKeyBQMMUEKOLVTRFL-UHFFFAOYSA-N
XLogP2.60
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;3H-pyridin-2-one?
The IUPAC name of ethane;3H-pyridin-2-one (CID 169216497) is ethane;3H-pyridin-2-one.
What is the SMILES notation for ethane;3H-pyridin-2-one?
The canonical SMILES for ethane;3H-pyridin-2-one is CC.CC.O=C1CC=CC=N1.
What is the InChIKey of ethane;3H-pyridin-2-one?
The InChIKey is BQMMUEKOLVTRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO.2C2H6/c7-5-3-1-2-4-6-5;2*1-2/h1-2,4H,3H2;2*1-2H3.
What are the key properties of ethane;3H-pyridin-2-one?
ethane;3H-pyridin-2-one has a molecular weight of 155.24 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3H-pyridin-2-one is sourced from PubChem (CID 169216497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).