1-(5-cyclopropyl-2-methyl-3-pyridinyl)propan-2-one

C12H15NO — CID 139524310

IUPAC1-(5-cyclopropyl-2-methyl-3-pyridinyl)propan-2-one
SMILESCC(=O)Cc1cc(C2CC2)cnc1C
InChIInChI=1S/C12H15NO/c1-8(14)5-11-6-12(10-3-4-10)7-13-9(11)2/h6-7,10H,3-5H2,1-2H3
InChIKeyMDOAGEOWEXXYLB-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.40
Rot. Bonds3

About 1-(5-cyclopropyl-2-methyl-3-pyridinyl)propan-2-one

1-(5-cyclopropyl-2-methyl-3-pyridinyl)propan-2-one (PubChem CID 139524310) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(5-cyclopropyl-2-methyl-3-pyridinyl)propan-2-one.

Molecular Properties

Compound Name1-(5-cyclopropyl-2-methyl-3-pyridinyl)propan-2-one
PubChem CID139524310
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-(5-cyclopropyl-2-methyl-3-pyridinyl)propan-2-one
SMILESCC(=O)Cc1cc(C2CC2)cnc1C
InChIInChI=1S/C12H15NO/c1-8(14)5-11-6-12(10-3-4-10)7-13-9(11)2/h6-7,10H,3-5H2,1-2H3
InChIKeyMDOAGEOWEXXYLB-UHFFFAOYSA-N
XLogP2.40
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[4-(hydroxymethyl)cyclohexyl]-2-methylpyridine-3-carboxamide
CID 174662247
3-[(E)-2-chloroprop-1-enyl]-5-cyclopropyl-2-methylpyridine
CID 139524308
5-(4-formylcyclohexyl)-2-methylpyridine-3-carboxamide
CID 174674045
1-(6-cyclopropyl-3-pyridinyl)propan-2-one
CID 83827442
5-cyclopentyl-3-ethylpyridin-2-amine
CID 170760838
2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid
CID 84723996
1-(2-cyclopropyl-4-methoxypyrimidin-5-yl)propan-2-one
CID 83882775
N-[(5-amino-2-methyl-3-pyridinyl)methyl]acetamide
CID 57165481
5-cyclopentyl-3-fluoro-2-methylpyridine;ethane
CID 170761559
ethyl 3-cyclopropylquinoline-6-carboxylate
CID 139487727
1-(1-cyclobutyl-3-methylpyrazol-4-yl)propan-2-one
CID 112712664
5-[4-[[3-(hydroxymethyl)-5-methylpyrazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 174745598

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-2-methyl-3-pyridinyl)propan-2-one?
The IUPAC name of 1-(5-cyclopropyl-2-methyl-3-pyridinyl)propan-2-one (CID 139524310) is 1-(5-cyclopropyl-2-methyl-3-pyridinyl)propan-2-one.
What is the SMILES notation for 1-(5-cyclopropyl-2-methyl-3-pyridinyl)propan-2-one?
The canonical SMILES for 1-(5-cyclopropyl-2-methyl-3-pyridinyl)propan-2-one is CC(=O)Cc1cc(C2CC2)cnc1C.
What is the InChIKey of 1-(5-cyclopropyl-2-methyl-3-pyridinyl)propan-2-one?
The InChIKey is MDOAGEOWEXXYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-8(14)5-11-6-12(10-3-4-10)7-13-9(11)2/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 1-(5-cyclopropyl-2-methyl-3-pyridinyl)propan-2-one?
1-(5-cyclopropyl-2-methyl-3-pyridinyl)propan-2-one has a molecular weight of 189.26 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-2-methyl-3-pyridinyl)propan-2-one is sourced from PubChem (CID 139524310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).