ethane;3-methyl-1-propylpyridin-2-one

C11H19NO — CID 177013538

IUPACethane;3-methyl-1-propylpyridin-2-one
SMILESCC.CCCn1cccc(C)c1=O
InChIInChI=1S/C9H13NO.C2H6/c1-3-6-10-7-4-5-8(2)9(10)11;1-2/h4-5,7H,3,6H2,1-2H3;1-2H3
InChIKeyBHKMVURGEDWXNB-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.59
Rot. Bonds2

About ethane;3-methyl-1-propylpyridin-2-one

ethane;3-methyl-1-propylpyridin-2-one (PubChem CID 177013538) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is ethane;3-methyl-1-propylpyridin-2-one.

Molecular Properties

Compound Nameethane;3-methyl-1-propylpyridin-2-one
PubChem CID177013538
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Nameethane;3-methyl-1-propylpyridin-2-one
SMILESCC.CCCn1cccc(C)c1=O
InChIInChI=1S/C9H13NO.C2H6/c1-3-6-10-7-4-5-8(2)9(10)11;1-2/h4-5,7H,3,6H2,1-2H3;1-2H3
InChIKeyBHKMVURGEDWXNB-UHFFFAOYSA-N
XLogP2.59
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoroethyl)-3-methylpyridin-2-one
CID 116621496
1-(4-bromobutyl)-3-methylpyridin-2-one
CID 63172457
3-methyl-1-(3-methylbutyl)pyridin-2-one
CID 59562300
1-(3-ethylsulfonylpropyl)-3-methylpyridin-2-one
CID 115650998
1-(methoxymethyl)-3-methylpyridin-2-one
CID 14787164
3-methyl-1-[3-(methylamino)propyl]pyridin-2-one
CID 63172327
1-(2-cyclopropylethyl)-3-methylpyridin-2-one
CID 116621462
1-[4-(ethylamino)butyl]-3-methylpyridin-2-one
CID 63172843
1-(ethoxymethyl)-3-methylpyridin-2-one
CID 116621434
1-[2-(benzylamino)ethyl]-3-methylpyridin-2-one
CID 63172535
3-methyl-1-(3-methylsulfonylpropyl)pyridin-2-one
CID 115610761
3-methyl-1-(2-oxopentyl)pyridin-2-one
CID 63172826

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1-propylpyridin-2-one?
The IUPAC name of ethane;3-methyl-1-propylpyridin-2-one (CID 177013538) is ethane;3-methyl-1-propylpyridin-2-one.
What is the SMILES notation for ethane;3-methyl-1-propylpyridin-2-one?
The canonical SMILES for ethane;3-methyl-1-propylpyridin-2-one is CC.CCCn1cccc(C)c1=O.
What is the InChIKey of ethane;3-methyl-1-propylpyridin-2-one?
The InChIKey is BHKMVURGEDWXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.C2H6/c1-3-6-10-7-4-5-8(2)9(10)11;1-2/h4-5,7H,3,6H2,1-2H3;1-2H3.
What are the key properties of ethane;3-methyl-1-propylpyridin-2-one?
ethane;3-methyl-1-propylpyridin-2-one has a molecular weight of 181.28 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1-propylpyridin-2-one is sourced from PubChem (CID 177013538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).