2-ethyl-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-4-one

C12H17NO — CID 14950494

IUPAC2-ethyl-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-4-one
SMILESCCc1cc(=O)c2c([nH]1)CCCCC2
InChIInChI=1S/C12H17NO/c1-2-9-8-12(14)10-6-4-3-5-7-11(10)13-9/h8H,2-7H2,1H3,(H,13,14)
InChIKeyZLOAYXPRJLKTJD-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.21
Rot. Bonds1

About 2-ethyl-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-4-one

2-ethyl-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-4-one (PubChem CID 14950494) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-ethyl-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-4-one.

Molecular Properties

Compound Name2-ethyl-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-4-one
PubChem CID14950494
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-ethyl-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-4-one
SMILESCCc1cc(=O)c2c([nH]1)CCCCC2
InChIInChI=1S/C12H17NO/c1-2-9-8-12(14)10-6-4-3-5-7-11(10)13-9/h8H,2-7H2,1H3,(H,13,14)
InChIKeyZLOAYXPRJLKTJD-UHFFFAOYSA-N
XLogP2.21
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 53239922
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CID 44560612
2-Methyl-5,6,7,8-tetrahydroquinolin-4(1H)-one
CID 12798227
2-methyl-6-undecyl-1H-pyridin-4-one
CID 10945282
2-(Trifluoromethyl)-5,6,7,8-tetrahydroquinolin-4-ol
CID 15171318
1,3,4,5,6,7,8,10-Octahydro-2H-acridin-9-one
CID 58869997
6-(6-Methyl-4-oxo-1,4-dihydropyridin-2-yl)-hexanamide
CID 129752902
11-(6-Methyl-4-oxo-1,4-dihydropyridin-2-yl)-undecanamide
CID 129753140
7-(6-Methyl-4-oxo-1,4-dihydropyridin-2-yl)-heptanamide
CID 129753737
(2S)-6-methyl-2-nonyl-2,3-dihydro-1H-pyridin-4-one
CID 134861677
6-fluoro-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 168262166
3-[2-(Cyclohexen-1-yl)ethylamino]cyclohex-2-en-1-one
CID 14400454

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-4-one?
The IUPAC name of 2-ethyl-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-4-one (CID 14950494) is 2-ethyl-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-4-one.
What is the SMILES notation for 2-ethyl-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-4-one?
The canonical SMILES for 2-ethyl-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-4-one is CCc1cc(=O)c2c([nH]1)CCCCC2.
What is the InChIKey of 2-ethyl-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-4-one?
The InChIKey is ZLOAYXPRJLKTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-9-8-12(14)10-6-4-3-5-7-11(10)13-9/h8H,2-7H2,1H3,(H,13,14).
What are the key properties of 2-ethyl-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-4-one?
2-ethyl-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-4-one has a molecular weight of 191.27 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-4-one is sourced from PubChem (CID 14950494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).