6-propylazepin-2-one

C9H11NO — CID 175327037

IUPAC6-propylazepin-2-one
SMILESCCCc1cccc(=O)nc1
InChIInChI=1S/C9H11NO/c1-2-4-8-5-3-6-9(11)10-7-8/h3,5-7H,2,4H2,1H3
InChIKeyJHESHFHUHORQQC-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.39
Rot. Bonds2

About 6-propylazepin-2-one

6-propylazepin-2-one (PubChem CID 175327037) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 6-propylazepin-2-one.

Molecular Properties

Compound Name6-propylazepin-2-one
PubChem CID175327037
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name6-propylazepin-2-one
SMILESCCCc1cccc(=O)nc1
InChIInChI=1S/C9H11NO/c1-2-4-8-5-3-6-9(11)10-7-8/h3,5-7H,2,4H2,1H3
InChIKeyJHESHFHUHORQQC-UHFFFAOYSA-N
XLogP1.39
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-5-propylpyridine
CID 23544341
copper bis(7-oxo-5-propylcyclohepta-1,3,5-trien-1-olate)
CID 122552448
N,N-dimethyl-5-propylpyridin-2-amine
CID 23544386
2-ethoxy-5-propylpyridine
CID 57169031
N-methyl-5-propylpyridin-2-amine
CID 88974517
2-[3-(5-propylpyrimidin-2-yl)phenyl]acetic acid
CID 155915416
propylbenzene tetraiodide
CID 23321652
propylbenzene;hydrobromide
CID 70024036
2-(4-propylphenyl)-5-[2-(4-propylphenyl)ethyl]pyridine
CID 19842005
5-propyl-2-(trifluoromethyl)pyridine
CID 23544356
2-prop-1-enyl-5-propylpyridine
CID 54200611
propylbenzene;N,N,2-trimethylpropan-2-amine
CID 91496276

Frequently Asked Questions

What is the IUPAC name of 6-propylazepin-2-one?
The IUPAC name of 6-propylazepin-2-one (CID 175327037) is 6-propylazepin-2-one.
What is the SMILES notation for 6-propylazepin-2-one?
The canonical SMILES for 6-propylazepin-2-one is CCCc1cccc(=O)nc1.
What is the InChIKey of 6-propylazepin-2-one?
The InChIKey is JHESHFHUHORQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-4-8-5-3-6-9(11)10-7-8/h3,5-7H,2,4H2,1H3.
What are the key properties of 6-propylazepin-2-one?
6-propylazepin-2-one has a molecular weight of 149.19 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propylazepin-2-one is sourced from PubChem (CID 175327037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).