5-methyl-2-pyridin-2-ylheptan-3-one

C13H19NO — CID 114875173

IUPAC5-methyl-2-pyridin-2-ylheptan-3-one
SMILESCCC(C)CC(=O)C(C)c1ccccn1
InChIInChI=1S/C13H19NO/c1-4-10(2)9-13(15)11(3)12-7-5-6-8-14-12/h5-8,10-11H,4,9H2,1-3H3
InChIKeyCQPQRDJDYJYHPL-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.19
Rot. Bonds5

About 5-methyl-2-pyridin-2-ylheptan-3-one

5-methyl-2-pyridin-2-ylheptan-3-one (PubChem CID 114875173) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 5-methyl-2-pyridin-2-ylheptan-3-one.

Molecular Properties

Compound Name5-methyl-2-pyridin-2-ylheptan-3-one
PubChem CID114875173
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name5-methyl-2-pyridin-2-ylheptan-3-one
SMILESCCC(C)CC(=O)C(C)c1ccccn1
InChIInChI=1S/C13H19NO/c1-4-10(2)9-13(15)11(3)12-7-5-6-8-14-12/h5-8,10-11H,4,9H2,1-3H3
InChIKeyCQPQRDJDYJYHPL-UHFFFAOYSA-N
XLogP3.19
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-pyridin-2-ylhexan-3-one
CID 66448746
2-pyridin-2-yldodecan-3-one
CID 66446795
2,4-dipyridin-2-ylpentan-3-one
CID 141048798
(2R)-2-pyridin-2-ylpropanoate
CID 86306983
4-propyl-2-pyridin-2-ylheptan-3-one
CID 82987035
(2S)-2-amino-N-(1-pyridin-2-ylethyl)butanamide
CID 79024975
lithium 2-pyridin-2-ylpropanoate
CID 175058549
(1R)-1-amino-4-methyl-1-phenylhexan-2-one
CID 104891009
(3S)-3-pyridin-2-ylbutanoic acid;sulfane
CID 167654157
3-amino-1-pyridin-2-ylbutan-1-ol
CID 151032283
oxalic acid;1-pyridin-2-ylethanamine
CID 45156268
2-methyl-1-pyridin-2-ylbutan-1-ol
CID 79444533

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pyridin-2-ylheptan-3-one?
The IUPAC name of 5-methyl-2-pyridin-2-ylheptan-3-one (CID 114875173) is 5-methyl-2-pyridin-2-ylheptan-3-one.
What is the SMILES notation for 5-methyl-2-pyridin-2-ylheptan-3-one?
The canonical SMILES for 5-methyl-2-pyridin-2-ylheptan-3-one is CCC(C)CC(=O)C(C)c1ccccn1.
What is the InChIKey of 5-methyl-2-pyridin-2-ylheptan-3-one?
The InChIKey is CQPQRDJDYJYHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-10(2)9-13(15)11(3)12-7-5-6-8-14-12/h5-8,10-11H,4,9H2,1-3H3.
What are the key properties of 5-methyl-2-pyridin-2-ylheptan-3-one?
5-methyl-2-pyridin-2-ylheptan-3-one has a molecular weight of 205.30 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pyridin-2-ylheptan-3-one is sourced from PubChem (CID 114875173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).