4-propyl-2-pyridin-2-ylheptan-3-one

C15H23NO — CID 82987035

IUPAC4-propyl-2-pyridin-2-ylheptan-3-one
SMILESCCCC(CCC)C(=O)C(C)c1ccccn1
InChIInChI=1S/C15H23NO/c1-4-8-13(9-5-2)15(17)12(3)14-10-6-7-11-16-14/h6-7,10-13H,4-5,8-9H2,1-3H3
InChIKeyMTHVCLOWTBMXQM-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.97
Rot. Bonds7

About 4-propyl-2-pyridin-2-ylheptan-3-one

4-propyl-2-pyridin-2-ylheptan-3-one (PubChem CID 82987035) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-propyl-2-pyridin-2-ylheptan-3-one.

Molecular Properties

Compound Name4-propyl-2-pyridin-2-ylheptan-3-one
PubChem CID82987035
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name4-propyl-2-pyridin-2-ylheptan-3-one
SMILESCCCC(CCC)C(=O)C(C)c1ccccn1
InChIInChI=1S/C15H23NO/c1-4-8-13(9-5-2)15(17)12(3)14-10-6-7-11-16-14/h6-7,10-13H,4-5,8-9H2,1-3H3
InChIKeyMTHVCLOWTBMXQM-UHFFFAOYSA-N
XLogP3.97
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-pyridin-2-ylhexan-3-one
CID 66448746
2,4-dipyridin-2-ylpentan-3-one
CID 141048798
(2R)-2-pyridin-2-ylpropanoate
CID 86306983
2-pyridin-2-yldodecan-3-one
CID 66446795
(2S)-2-amino-N-[(1R)-1-pyridin-2-ylethyl]pentanamide
CID 107570243
2-amino-N-(1-pyridin-2-ylethyl)pentanamide
CID 43650304
5-methyl-2-pyridin-2-ylheptan-3-one
CID 114875173
lithium 2-pyridin-2-ylpropanoate
CID 175058549
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
2-(1-fluorobutyl)pyridine
CID 66584665
oxalic acid;1-pyridin-2-ylethanamine
CID 45156268
(2S)-2-(1-pyridin-2-ylethylcarbamoylamino)pentanoic acid
CID 107566198

Frequently Asked Questions

What is the IUPAC name of 4-propyl-2-pyridin-2-ylheptan-3-one?
The IUPAC name of 4-propyl-2-pyridin-2-ylheptan-3-one (CID 82987035) is 4-propyl-2-pyridin-2-ylheptan-3-one.
What is the SMILES notation for 4-propyl-2-pyridin-2-ylheptan-3-one?
The canonical SMILES for 4-propyl-2-pyridin-2-ylheptan-3-one is CCCC(CCC)C(=O)C(C)c1ccccn1.
What is the InChIKey of 4-propyl-2-pyridin-2-ylheptan-3-one?
The InChIKey is MTHVCLOWTBMXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-8-13(9-5-2)15(17)12(3)14-10-6-7-11-16-14/h6-7,10-13H,4-5,8-9H2,1-3H3.
What are the key properties of 4-propyl-2-pyridin-2-ylheptan-3-one?
4-propyl-2-pyridin-2-ylheptan-3-one has a molecular weight of 233.36 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2-pyridin-2-ylheptan-3-one is sourced from PubChem (CID 82987035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).