3,3-diethylazepan-2-one

C10H19NO — CID 10702280

IUPAC3,3-diethylazepan-2-one
SMILESCCC1(CC)CCCCNC1=O
InChIInChI=1S/C10H19NO/c1-3-10(4-2)7-5-6-8-11-9(10)12/h3-8H2,1-2H3,(H,11,12)
InChIKeyUDCWZVZAASLSTP-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.09
Rot. Bonds2

About 3,3-diethylazepan-2-one

3,3-diethylazepan-2-one (PubChem CID 10702280) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3,3-diethylazepan-2-one.

Molecular Properties

Compound Name3,3-diethylazepan-2-one
PubChem CID10702280
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3,3-diethylazepan-2-one
SMILESCCC1(CC)CCCCNC1=O
InChIInChI=1S/C10H19NO/c1-3-10(4-2)7-5-6-8-11-9(10)12/h3-8H2,1-2H3,(H,11,12)
InChIKeyUDCWZVZAASLSTP-UHFFFAOYSA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethylazepan-2-one?
The IUPAC name of 3,3-diethylazepan-2-one (CID 10702280) is 3,3-diethylazepan-2-one.
What is the SMILES notation for 3,3-diethylazepan-2-one?
The canonical SMILES for 3,3-diethylazepan-2-one is CCC1(CC)CCCCNC1=O.
What is the InChIKey of 3,3-diethylazepan-2-one?
The InChIKey is UDCWZVZAASLSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-10(4-2)7-5-6-8-11-9(10)12/h3-8H2,1-2H3,(H,11,12).
What are the key properties of 3,3-diethylazepan-2-one?
3,3-diethylazepan-2-one has a molecular weight of 169.27 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethylazepan-2-one is sourced from PubChem (CID 10702280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).