4,4-dimethyl-1-pyridin-2-ylpentan-1-one

C12H17NO — CID 62620197

IUPAC4,4-dimethyl-1-pyridin-2-ylpentan-1-one
SMILESCC(C)(C)CCC(=O)c1ccccn1
InChIInChI=1S/C12H17NO/c1-12(2,3)8-7-11(14)10-6-4-5-9-13-10/h4-6,9H,7-8H2,1-3H3
InChIKeyOKGQZUHKRWAVFW-UHFFFAOYSA-N
MW191.27 g/mol
LogP3.09
Rot. Bonds3

About 4,4-dimethyl-1-pyridin-2-ylpentan-1-one

4,4-dimethyl-1-pyridin-2-ylpentan-1-one (PubChem CID 62620197) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4,4-dimethyl-1-pyridin-2-ylpentan-1-one.

Molecular Properties

Compound Name4,4-dimethyl-1-pyridin-2-ylpentan-1-one
PubChem CID62620197
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4,4-dimethyl-1-pyridin-2-ylpentan-1-one
SMILESCC(C)(C)CCC(=O)c1ccccn1
InChIInChI=1S/C12H17NO/c1-12(2,3)8-7-11(14)10-6-4-5-9-13-10/h4-6,9H,7-8H2,1-3H3
InChIKeyOKGQZUHKRWAVFW-UHFFFAOYSA-N
XLogP3.09
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-3-methyl-1-pyridin-2-ylbutan-1-one
CID 175849018
3-amino-1-pyridin-2-ylpropan-1-one
CID 45079500
1-pyridin-2-ylhexan-1-one
CID 556347
3,5,5-trimethyl-1-pyridin-2-ylhexan-1-one
CID 24723559
1-pyridin-2-yl-4-sulfanylbutan-1-one
CID 20509868
4-(methylamino)-1-pyridin-2-ylbutan-1-one
CID 83816768
3-anilino-1-pyridin-2-ylpropan-1-one
CID 12523109
1-pyridin-2-ylbutane-1,3-dione
CID 12707221
4-ethoxy-1-pyridin-2-ylbutan-1-one
CID 45074562
4-methylsulfonyl-1-pyridin-2-ylbutan-1-one
CID 63192067
butane;ethane;1-pyridin-2-ylpropan-1-one
CID 144892300
3-[(2,2-dimethyl-1-phenylpropyl)amino]-1-pyridin-2-ylpropan-1-one
CID 70926545

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-pyridin-2-ylpentan-1-one?
The IUPAC name of 4,4-dimethyl-1-pyridin-2-ylpentan-1-one (CID 62620197) is 4,4-dimethyl-1-pyridin-2-ylpentan-1-one.
What is the SMILES notation for 4,4-dimethyl-1-pyridin-2-ylpentan-1-one?
The canonical SMILES for 4,4-dimethyl-1-pyridin-2-ylpentan-1-one is CC(C)(C)CCC(=O)c1ccccn1.
What is the InChIKey of 4,4-dimethyl-1-pyridin-2-ylpentan-1-one?
The InChIKey is OKGQZUHKRWAVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-12(2,3)8-7-11(14)10-6-4-5-9-13-10/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-pyridin-2-ylpentan-1-one?
4,4-dimethyl-1-pyridin-2-ylpentan-1-one has a molecular weight of 191.27 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-pyridin-2-ylpentan-1-one is sourced from PubChem (CID 62620197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).