3-(methylamino)-7-methylidene-1-propan-2-ylazepan-2-one

C11H20N2O — CID 89268209

IUPAC3-(methylamino)-7-methylidene-1-propan-2-ylazepan-2-one
SMILESC=C1CCCC(NC)C(=O)N1C(C)C
InChIInChI=1S/C11H20N2O/c1-8(2)13-9(3)6-5-7-10(12-4)11(13)14/h8,10,12H,3,5-7H2,1-2,4H3
InChIKeyXPCBUCZPKKQVMD-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.51
Rot. Bonds2

About 3-(methylamino)-7-methylidene-1-propan-2-ylazepan-2-one

3-(methylamino)-7-methylidene-1-propan-2-ylazepan-2-one (PubChem CID 89268209) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-(methylamino)-7-methylidene-1-propan-2-ylazepan-2-one.

Molecular Properties

Compound Name3-(methylamino)-7-methylidene-1-propan-2-ylazepan-2-one
PubChem CID89268209
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-(methylamino)-7-methylidene-1-propan-2-ylazepan-2-one
SMILESC=C1CCCC(NC)C(=O)N1C(C)C
InChIInChI=1S/C11H20N2O/c1-8(2)13-9(3)6-5-7-10(12-4)11(13)14/h8,10,12H,3,5-7H2,1-2,4H3
InChIKeyXPCBUCZPKKQVMD-UHFFFAOYSA-N
XLogP1.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-7-methylidene-1-propan-2-ylazepan-2-one?
The IUPAC name of 3-(methylamino)-7-methylidene-1-propan-2-ylazepan-2-one (CID 89268209) is 3-(methylamino)-7-methylidene-1-propan-2-ylazepan-2-one.
What is the SMILES notation for 3-(methylamino)-7-methylidene-1-propan-2-ylazepan-2-one?
The canonical SMILES for 3-(methylamino)-7-methylidene-1-propan-2-ylazepan-2-one is C=C1CCCC(NC)C(=O)N1C(C)C.
What is the InChIKey of 3-(methylamino)-7-methylidene-1-propan-2-ylazepan-2-one?
The InChIKey is XPCBUCZPKKQVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8(2)13-9(3)6-5-7-10(12-4)11(13)14/h8,10,12H,3,5-7H2,1-2,4H3.
What are the key properties of 3-(methylamino)-7-methylidene-1-propan-2-ylazepan-2-one?
3-(methylamino)-7-methylidene-1-propan-2-ylazepan-2-one has a molecular weight of 196.29 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-7-methylidene-1-propan-2-ylazepan-2-one is sourced from PubChem (CID 89268209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).