3-ethylazepin-2-one

C8H9NO — CID 23218762

IUPAC3-ethylazepin-2-one
SMILESCCc1ccccnc1=O
InChIInChI=1S/C8H9NO/c1-2-7-5-3-4-6-9-8(7)10/h3-6H,2H2,1H3
InChIKeyYWDDYZDLQNGGRW-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.00
Rot. Bonds1

About 3-ethylazepin-2-one

3-ethylazepin-2-one (PubChem CID 23218762) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 3-ethylazepin-2-one.

Molecular Properties

Compound Name3-ethylazepin-2-one
PubChem CID23218762
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name3-ethylazepin-2-one
SMILESCCc1ccccnc1=O
InChIInChI=1S/C8H9NO/c1-2-7-5-3-4-6-9-8(7)10/h3-6H,2H2,1H3
InChIKeyYWDDYZDLQNGGRW-UHFFFAOYSA-N
XLogP1.00
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Benzazepin-2-one
CID 19092219
Cyclopenta[d]pyridon
CID 91450060
2H-3-benzazepine-2-on-hydrochloride
CID 129717137
3-Acetylazepin-2-one
CID 129778854
Cyclohepta[c]pyridin-1-one
CID 132279945
3-Methylidenepyridin-2-one
CID 18522756
Isoquinolin-1(7H)-one
CID 45079456
3-Prop-2-enylpyrrol-2-one
CID 66897497
3-Ethylidenepyridin-2-one
CID 76827562
1-Azoniacyclohepta-1,3,5,7-tetraene-4-carboxamide
CID 87880044
(E)-2-methyl-N-propylidenepent-2-enamide
CID 91014107
4-Methylazepin-2-one
CID 91345793

Frequently Asked Questions

What is the IUPAC name of 3-ethylazepin-2-one?
The IUPAC name of 3-ethylazepin-2-one (CID 23218762) is 3-ethylazepin-2-one.
What is the SMILES notation for 3-ethylazepin-2-one?
The canonical SMILES for 3-ethylazepin-2-one is CCc1ccccnc1=O.
What is the InChIKey of 3-ethylazepin-2-one?
The InChIKey is YWDDYZDLQNGGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-2-7-5-3-4-6-9-8(7)10/h3-6H,2H2,1H3.
What are the key properties of 3-ethylazepin-2-one?
3-ethylazepin-2-one has a molecular weight of 135.17 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylazepin-2-one is sourced from PubChem (CID 23218762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).