(3R)-3,7-diethyl-1,3-dihydroazepin-2-one

C10H15NO — CID 94034657

IUPAC(3R)-3,7-diethyl-1,3-dihydroazepin-2-one
SMILESCCC1=CC=C[C@@H](CC)C(=O)N1
InChIInChI=1S/C10H15NO/c1-3-8-6-5-7-9(4-2)11-10(8)12/h5-8H,3-4H2,1-2H3,(H,11,12)/t8-/m1/s1
InChIKeyRGYKWJOCGFLDGA-MRVPVSSYSA-N
MW165.24 g/mol
LogP1.99
Rot. Bonds2

About (3R)-3,7-diethyl-1,3-dihydroazepin-2-one

(3R)-3,7-diethyl-1,3-dihydroazepin-2-one (PubChem CID 94034657) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (3R)-3,7-diethyl-1,3-dihydroazepin-2-one.

Molecular Properties

Compound Name(3R)-3,7-diethyl-1,3-dihydroazepin-2-one
PubChem CID94034657
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(3R)-3,7-diethyl-1,3-dihydroazepin-2-one
SMILESCCC1=CC=C[C@@H](CC)C(=O)N1
InChIInChI=1S/C10H15NO/c1-3-8-6-5-7-9(4-2)11-10(8)12/h5-8H,3-4H2,1-2H3,(H,11,12)/t8-/m1/s1
InChIKeyRGYKWJOCGFLDGA-MRVPVSSYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-7-methyl-1,3-dihydroazepin-2-one
CID 130010195
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
4,8-diethyl-4,8-dihydronaphthalene-1,5-dione
CID 174772232
5-ethyl-1,3-dihydropyrrol-2-one
CID 20770532
4-ethyl-3,3-dimethylpyrrolidine-2,5-dione
CID 523535
ethane;6-ethyl-4-azaspiro[2.4]heptan-5-one
CID 167481225
6-ethyl-1-methylcyclohexa-1,2,4-triene
CID 123809086

Frequently Asked Questions

What is the IUPAC name of (3R)-3,7-diethyl-1,3-dihydroazepin-2-one?
The IUPAC name of (3R)-3,7-diethyl-1,3-dihydroazepin-2-one (CID 94034657) is (3R)-3,7-diethyl-1,3-dihydroazepin-2-one.
What is the SMILES notation for (3R)-3,7-diethyl-1,3-dihydroazepin-2-one?
The canonical SMILES for (3R)-3,7-diethyl-1,3-dihydroazepin-2-one is CCC1=CC=C[C@@H](CC)C(=O)N1.
What is the InChIKey of (3R)-3,7-diethyl-1,3-dihydroazepin-2-one?
The InChIKey is RGYKWJOCGFLDGA-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-8-6-5-7-9(4-2)11-10(8)12/h5-8H,3-4H2,1-2H3,(H,11,12)/t8-/m1/s1.
What are the key properties of (3R)-3,7-diethyl-1,3-dihydroazepin-2-one?
(3R)-3,7-diethyl-1,3-dihydroazepin-2-one has a molecular weight of 165.24 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,7-diethyl-1,3-dihydroazepin-2-one is sourced from PubChem (CID 94034657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).