1-pyridin-2-ylhexan-1-one

C11H15NO — CID 556347

IUPAC1-pyridin-2-ylhexan-1-one
SMILESCCCCCC(=O)c1ccccn1
InChIInChI=1S/C11H15NO/c1-2-3-4-8-11(13)10-7-5-6-9-12-10/h5-7,9H,2-4,8H2,1H3
InChIKeyZGKVJWNKQCIUSP-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.84
Rot. Bonds5

About 1-pyridin-2-ylhexan-1-one

1-pyridin-2-ylhexan-1-one (PubChem CID 556347) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-pyridin-2-ylhexan-1-one.

Molecular Properties

Compound Name1-pyridin-2-ylhexan-1-one
PubChem CID556347
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-pyridin-2-ylhexan-1-one
SMILESCCCCCC(=O)c1ccccn1
InChIInChI=1S/C11H15NO/c1-2-3-4-8-11(13)10-7-5-6-9-12-10/h5-7,9H,2-4,8H2,1H3
InChIKeyZGKVJWNKQCIUSP-UHFFFAOYSA-N
XLogP2.84
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-1-pyridin-2-ylbutan-1-one
CID 45074562
1-pyridin-2-yl-4-sulfanylbutan-1-one
CID 20509868
4-(methylamino)-1-pyridin-2-ylbutan-1-one
CID 83816768
2-hept-1-en-2-ylpyridine
CID 67857415
4-methylsulfonyl-1-pyridin-2-ylbutan-1-one
CID 63192067
butane;ethane;1-pyridin-2-ylpropan-1-one
CID 144892300
dodecyl-dimethyl-(2-oxo-2-pyridin-2-ylethyl)azanium
CID 10993345
(2-decanoyloxy-1,2-dipyridin-2-ylethenyl) decanoate
CID 54192954
3-(4-butoxyphenyl)-1-pyridin-2-ylpropan-1-one
CID 82185267
3-amino-1-pyridin-2-ylpropan-1-one
CID 45079500
(5-oxo-5-pyridin-2-ylpentyl)carbamic acid
CID 68759301
4,4-dimethyl-1-pyridin-2-ylpentan-1-one
CID 62620197

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-ylhexan-1-one?
The IUPAC name of 1-pyridin-2-ylhexan-1-one (CID 556347) is 1-pyridin-2-ylhexan-1-one.
What is the SMILES notation for 1-pyridin-2-ylhexan-1-one?
The canonical SMILES for 1-pyridin-2-ylhexan-1-one is CCCCCC(=O)c1ccccn1.
What is the InChIKey of 1-pyridin-2-ylhexan-1-one?
The InChIKey is ZGKVJWNKQCIUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-3-4-8-11(13)10-7-5-6-9-12-10/h5-7,9H,2-4,8H2,1H3.
What are the key properties of 1-pyridin-2-ylhexan-1-one?
1-pyridin-2-ylhexan-1-one has a molecular weight of 177.25 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylhexan-1-one is sourced from PubChem (CID 556347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).