4-methyl-1-pyridin-3-ylheptan-3-one

C13H19NO — CID 107891307

IUPAC4-methyl-1-pyridin-3-ylheptan-3-one
SMILESCCCC(C)C(=O)CCc1cccnc1
InChIInChI=1S/C13H19NO/c1-3-5-11(2)13(15)8-7-12-6-4-9-14-10-12/h4,6,9-11H,3,5,7-8H2,1-2H3
InChIKeyGVPZTYUQZAWZGF-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.02
Rot. Bonds6

About 4-methyl-1-pyridin-3-ylheptan-3-one

4-methyl-1-pyridin-3-ylheptan-3-one (PubChem CID 107891307) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-methyl-1-pyridin-3-ylheptan-3-one.

Molecular Properties

Compound Name4-methyl-1-pyridin-3-ylheptan-3-one
PubChem CID107891307
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-methyl-1-pyridin-3-ylheptan-3-one
SMILESCCCC(C)C(=O)CCc1cccnc1
InChIInChI=1S/C13H19NO/c1-3-5-11(2)13(15)8-7-12-6-4-9-14-10-12/h4,6,9-11H,3,5,7-8H2,1-2H3
InChIKeyGVPZTYUQZAWZGF-UHFFFAOYSA-N
XLogP3.02
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-pyridin-3-ylbutanoic acid
CID 79004008
6-methyl-1-pyridin-3-ylheptane-3,5-dione
CID 159181392
5-methyl-1-pyridin-3-ylheptan-3-one
CID 105091617
2-methyl-1-pyridin-3-ylpentan-3-one
CID 57063498
ethyl 2-(3-pyridin-3-ylpropanoylamino)propanoate
CID 61344596
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
7-methyl-1-pyridin-3-yloctan-4-one
CID 70095682
(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043
1-pyridin-3-ylhexan-3-amine
CID 64506028
3-(9-methyldodecyl)pyridine
CID 91204403
4-pyridin-3-ylbutan-2-ylcarbamic acid
CID 146273639
(4-methyl-1-pyridin-3-ylheptan-3-yl)hydrazine
CID 107895879

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-pyridin-3-ylheptan-3-one?
The IUPAC name of 4-methyl-1-pyridin-3-ylheptan-3-one (CID 107891307) is 4-methyl-1-pyridin-3-ylheptan-3-one.
What is the SMILES notation for 4-methyl-1-pyridin-3-ylheptan-3-one?
The canonical SMILES for 4-methyl-1-pyridin-3-ylheptan-3-one is CCCC(C)C(=O)CCc1cccnc1.
What is the InChIKey of 4-methyl-1-pyridin-3-ylheptan-3-one?
The InChIKey is GVPZTYUQZAWZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-5-11(2)13(15)8-7-12-6-4-9-14-10-12/h4,6,9-11H,3,5,7-8H2,1-2H3.
What are the key properties of 4-methyl-1-pyridin-3-ylheptan-3-one?
4-methyl-1-pyridin-3-ylheptan-3-one has a molecular weight of 205.30 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-pyridin-3-ylheptan-3-one is sourced from PubChem (CID 107891307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).