ethane;5-methyl-1-prop-2-ynylpyridin-2-one

C11H15NO — CID 142303246

IUPACethane;5-methyl-1-prop-2-ynylpyridin-2-one
SMILESC#CCn1cc(C)ccc1=O.CC
InChIInChI=1S/C9H9NO.C2H6/c1-3-6-10-7-8(2)4-5-9(10)11;1-2/h1,4-5,7H,6H2,2H3;1-2H3
InChIKeySBQMBIRRBYPMQB-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.82
Rot. Bonds1

About ethane;5-methyl-1-prop-2-ynylpyridin-2-one

ethane;5-methyl-1-prop-2-ynylpyridin-2-one (PubChem CID 142303246) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is ethane;5-methyl-1-prop-2-ynylpyridin-2-one.

Molecular Properties

Compound Nameethane;5-methyl-1-prop-2-ynylpyridin-2-one
PubChem CID142303246
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Nameethane;5-methyl-1-prop-2-ynylpyridin-2-one
SMILESC#CCn1cc(C)ccc1=O.CC
InChIInChI=1S/C9H9NO.C2H6/c1-3-6-10-7-8(2)4-5-9(10)11;1-2/h1,4-5,7H,6H2,2H3;1-2H3
InChIKeySBQMBIRRBYPMQB-UHFFFAOYSA-N
XLogP1.82
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(iodomethyl)-5-methylpyridin-2-one
CID 148677091
1-prop-2-ynyl-5-(trifluoromethyl)pyridin-2-one
CID 60643629
1-(2-hydroxypropyl)-5-methylpyridin-2-one
CID 59276133
1-(4-aminobutyl)-5-methylpyridin-2-one
CID 82032115
1-(4-iodobutyl)-5-methylpyridin-2-one
CID 171061446
1-(cyclopentylmethyl)-5-methylpyridin-2-one
CID 167142146
3-bromoprop-1-yne;1,4-xylene
CID 175263887
1-ethyl-5-(prop-2-ynylamino)pyridin-2-one
CID 63950885
3-benzoyl-5-methyl-1-prop-2-ynylpyrimidine-2,4-dione
CID 11737243
1-[(3-methoxy-2,6-dimethylphenyl)methyl]-5-methylpyridin-2-one
CID 171525332
5-methyl-1-[(2-nitrophenyl)methyl]pyridin-2-one
CID 70330688
2-[5-(4-methylphenyl)-2-oxo-1-pyridinyl]acetic acid
CID 82117838

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1-prop-2-ynylpyridin-2-one?
The IUPAC name of ethane;5-methyl-1-prop-2-ynylpyridin-2-one (CID 142303246) is ethane;5-methyl-1-prop-2-ynylpyridin-2-one.
What is the SMILES notation for ethane;5-methyl-1-prop-2-ynylpyridin-2-one?
The canonical SMILES for ethane;5-methyl-1-prop-2-ynylpyridin-2-one is C#CCn1cc(C)ccc1=O.CC.
What is the InChIKey of ethane;5-methyl-1-prop-2-ynylpyridin-2-one?
The InChIKey is SBQMBIRRBYPMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO.C2H6/c1-3-6-10-7-8(2)4-5-9(10)11;1-2/h1,4-5,7H,6H2,2H3;1-2H3.
What are the key properties of ethane;5-methyl-1-prop-2-ynylpyridin-2-one?
ethane;5-methyl-1-prop-2-ynylpyridin-2-one has a molecular weight of 177.25 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1-prop-2-ynylpyridin-2-one is sourced from PubChem (CID 142303246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).