3-ethyl-7-methyl-1,3-dihydroazepin-2-one

C9H13NO — CID 130010195

IUPAC3-ethyl-7-methyl-1,3-dihydroazepin-2-one
SMILESCCC1C=CC=C(C)NC1=O
InChIInChI=1S/C9H13NO/c1-3-8-6-4-5-7(2)10-9(8)11/h4-6,8H,3H2,1-2H3,(H,10,11)
InChIKeyWFUYFGHOVWYQME-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.60
Rot. Bonds1

About 3-ethyl-7-methyl-1,3-dihydroazepin-2-one

3-ethyl-7-methyl-1,3-dihydroazepin-2-one (PubChem CID 130010195) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-ethyl-7-methyl-1,3-dihydroazepin-2-one.

Molecular Properties

Compound Name3-ethyl-7-methyl-1,3-dihydroazepin-2-one
PubChem CID130010195
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name3-ethyl-7-methyl-1,3-dihydroazepin-2-one
SMILESCCC1C=CC=C(C)NC1=O
InChIInChI=1S/C9H13NO/c1-3-8-6-4-5-7(2)10-9(8)11/h4-6,8H,3H2,1-2H3,(H,10,11)
InChIKeyWFUYFGHOVWYQME-UHFFFAOYSA-N
XLogP1.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3,7-diethyl-1,3-dihydroazepin-2-one
CID 94034657
5-ethyl-1-methylcyclopenta-1,3-diene;zirconium
CID 174480291
5-ethyl-1-propan-2-ylcyclopenta-1,3-diene
CID 169222891
methyl 5-ethylcyclopenta-1,3-diene-1-carboxylate
CID 176533311
5-ethyl-1-prop-1-en-2-ylcyclopenta-1,3-diene
CID 142452108
1-chloro-7-ethylcyclohepta-1,3,5-triene
CID 71395695
(5-ethylcyclopenta-1,3-dien-1-yl)oxy-trimethylsilane
CID 158889903
(4E,6Z,8E)-4,9-dimethyl-1H-azonine-2,3-dione
CID 89016434
6-ethyl-1-methylcyclohexa-1,2,4-triene
CID 123809086
4,8-diethyl-4,8-dihydronaphthalene-1,5-dione
CID 174772232
3-ethyl-6-methyl-3H-pyridin-2-one
CID 76844676
ethane;6-ethyl-4-azaspiro[2.4]heptan-5-one
CID 167481225

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-methyl-1,3-dihydroazepin-2-one?
The IUPAC name of 3-ethyl-7-methyl-1,3-dihydroazepin-2-one (CID 130010195) is 3-ethyl-7-methyl-1,3-dihydroazepin-2-one.
What is the SMILES notation for 3-ethyl-7-methyl-1,3-dihydroazepin-2-one?
The canonical SMILES for 3-ethyl-7-methyl-1,3-dihydroazepin-2-one is CCC1C=CC=C(C)NC1=O.
What is the InChIKey of 3-ethyl-7-methyl-1,3-dihydroazepin-2-one?
The InChIKey is WFUYFGHOVWYQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-8-6-4-5-7(2)10-9(8)11/h4-6,8H,3H2,1-2H3,(H,10,11).
What are the key properties of 3-ethyl-7-methyl-1,3-dihydroazepin-2-one?
3-ethyl-7-methyl-1,3-dihydroazepin-2-one has a molecular weight of 151.21 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-methyl-1,3-dihydroazepin-2-one is sourced from PubChem (CID 130010195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).