1-ethyl-3-(methylamino)-7-methylideneazepan-2-one

C10H18N2O — CID 89268208

IUPAC1-ethyl-3-(methylamino)-7-methylideneazepan-2-one
SMILESC=C1CCCC(NC)C(=O)N1CC
InChIInChI=1S/C10H18N2O/c1-4-12-8(2)6-5-7-9(11-3)10(12)13/h9,11H,2,4-7H2,1,3H3
InChIKeyCAXXCZGYULWOCQ-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.12
Rot. Bonds2

About 1-ethyl-3-(methylamino)-7-methylideneazepan-2-one

1-ethyl-3-(methylamino)-7-methylideneazepan-2-one (PubChem CID 89268208) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-ethyl-3-(methylamino)-7-methylideneazepan-2-one.

Molecular Properties

Compound Name1-ethyl-3-(methylamino)-7-methylideneazepan-2-one
PubChem CID89268208
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-ethyl-3-(methylamino)-7-methylideneazepan-2-one
SMILESC=C1CCCC(NC)C(=O)N1CC
InChIInChI=1S/C10H18N2O/c1-4-12-8(2)6-5-7-9(11-3)10(12)13/h9,11H,2,4-7H2,1,3H3
InChIKeyCAXXCZGYULWOCQ-UHFFFAOYSA-N
XLogP1.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(methylamino)-7-methylideneazepan-2-one?
The IUPAC name of 1-ethyl-3-(methylamino)-7-methylideneazepan-2-one (CID 89268208) is 1-ethyl-3-(methylamino)-7-methylideneazepan-2-one.
What is the SMILES notation for 1-ethyl-3-(methylamino)-7-methylideneazepan-2-one?
The canonical SMILES for 1-ethyl-3-(methylamino)-7-methylideneazepan-2-one is C=C1CCCC(NC)C(=O)N1CC.
What is the InChIKey of 1-ethyl-3-(methylamino)-7-methylideneazepan-2-one?
The InChIKey is CAXXCZGYULWOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-12-8(2)6-5-7-9(11-3)10(12)13/h9,11H,2,4-7H2,1,3H3.
What are the key properties of 1-ethyl-3-(methylamino)-7-methylideneazepan-2-one?
1-ethyl-3-(methylamino)-7-methylideneazepan-2-one has a molecular weight of 182.27 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(methylamino)-7-methylideneazepan-2-one is sourced from PubChem (CID 89268208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).