2-cycloheptyl-1-pyridin-3-ylethanone

C14H19NO — CID 114963158

IUPAC2-cycloheptyl-1-pyridin-3-ylethanone
SMILESO=C(CC1CCCCCC1)c1cccnc1
InChIInChI=1S/C14H19NO/c16-14(13-8-5-9-15-11-13)10-12-6-3-1-2-4-7-12/h5,8-9,11-12H,1-4,6-7,10H2
InChIKeyQBJINWFQUPODCS-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.62
Rot. Bonds3

About 2-cycloheptyl-1-pyridin-3-ylethanone

2-cycloheptyl-1-pyridin-3-ylethanone (PubChem CID 114963158) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-cycloheptyl-1-pyridin-3-ylethanone.

Molecular Properties

Compound Name2-cycloheptyl-1-pyridin-3-ylethanone
PubChem CID114963158
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-cycloheptyl-1-pyridin-3-ylethanone
SMILESO=C(CC1CCCCCC1)c1cccnc1
InChIInChI=1S/C14H19NO/c16-14(13-8-5-9-15-11-13)10-12-6-3-1-2-4-7-12/h5,8-9,11-12H,1-4,6-7,10H2
InChIKeyQBJINWFQUPODCS-UHFFFAOYSA-N
XLogP3.62
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-1-pyrimidin-5-ylethanone
CID 114965913
2-cyclopentyl-1-phenylethanone;hydrochloride
CID 174593040
1-[3,5-bis(2-cyclohexylacetyl)phenyl]-2-cyclohexylethanone
CID 160549823
N-[[4-[(2-cyclohexylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925756
2-[2-[(2-cyclohexylacetyl)amino]ethylsulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoic acid
CID 139950309
tert-butyl 2-(2-oxo-2-pyridin-3-ylethyl)azepane-1-carboxylate
CID 103724108
2-cyclopentyl-1-pyrazin-2-ylethanone
CID 62622099
2-(1-cyclohexylpyrazol-3-yl)-1-pyridin-3-ylethanone
CID 64783341
2-cycloheptyl-1-(5-methoxy-3-pyridinyl)ethanone
CID 115793367
2-cyclohexyl-1-(4-fluorophenyl)ethanone
CID 12505091
CID 172748531
CID 172748531
N-cyclopentylpyridine-3-carboxamide
CID 805532

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-pyridin-3-ylethanone?
The IUPAC name of 2-cycloheptyl-1-pyridin-3-ylethanone (CID 114963158) is 2-cycloheptyl-1-pyridin-3-ylethanone.
What is the SMILES notation for 2-cycloheptyl-1-pyridin-3-ylethanone?
The canonical SMILES for 2-cycloheptyl-1-pyridin-3-ylethanone is O=C(CC1CCCCCC1)c1cccnc1.
What is the InChIKey of 2-cycloheptyl-1-pyridin-3-ylethanone?
The InChIKey is QBJINWFQUPODCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c16-14(13-8-5-9-15-11-13)10-12-6-3-1-2-4-7-12/h5,8-9,11-12H,1-4,6-7,10H2.
What are the key properties of 2-cycloheptyl-1-pyridin-3-ylethanone?
2-cycloheptyl-1-pyridin-3-ylethanone has a molecular weight of 217.31 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-pyridin-3-ylethanone is sourced from PubChem (CID 114963158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).