1-(2-bicyclo[3.1.0]hexanylmethyl)-4-methyl-3-(methylamino)azepan-2-one

C15H26N2O — CID 20589742

IUPAC1-(2-bicyclo[3.1.0]hexanylmethyl)-4-methyl-3-(methylamino)azepan-2-one
SMILESCNC1C(=O)N(CC2CCC3CC32)CCCC1C
InChIInChI=1S/C15H26N2O/c1-10-4-3-7-17(15(18)14(10)16-2)9-12-6-5-11-8-13(11)12/h10-14,16H,3-9H2,1-2H3
InChIKeyQNRDQHLMYCVTJZ-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.88
Rot. Bonds3

About 1-(2-bicyclo[3.1.0]hexanylmethyl)-4-methyl-3-(methylamino)azepan-2-one

1-(2-bicyclo[3.1.0]hexanylmethyl)-4-methyl-3-(methylamino)azepan-2-one (PubChem CID 20589742) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(2-bicyclo[3.1.0]hexanylmethyl)-4-methyl-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name1-(2-bicyclo[3.1.0]hexanylmethyl)-4-methyl-3-(methylamino)azepan-2-one
PubChem CID20589742
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(2-bicyclo[3.1.0]hexanylmethyl)-4-methyl-3-(methylamino)azepan-2-one
SMILESCNC1C(=O)N(CC2CCC3CC32)CCCC1C
InChIInChI=1S/C15H26N2O/c1-10-4-3-7-17(15(18)14(10)16-2)9-12-6-5-11-8-13(11)12/h10-14,16H,3-9H2,1-2H3
InChIKeyQNRDQHLMYCVTJZ-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[3.1.0]hexanylmethyl)-4-methyl-3-(methylamino)azepan-2-one?
The IUPAC name of 1-(2-bicyclo[3.1.0]hexanylmethyl)-4-methyl-3-(methylamino)azepan-2-one (CID 20589742) is 1-(2-bicyclo[3.1.0]hexanylmethyl)-4-methyl-3-(methylamino)azepan-2-one.
What is the SMILES notation for 1-(2-bicyclo[3.1.0]hexanylmethyl)-4-methyl-3-(methylamino)azepan-2-one?
The canonical SMILES for 1-(2-bicyclo[3.1.0]hexanylmethyl)-4-methyl-3-(methylamino)azepan-2-one is CNC1C(=O)N(CC2CCC3CC32)CCCC1C.
What is the InChIKey of 1-(2-bicyclo[3.1.0]hexanylmethyl)-4-methyl-3-(methylamino)azepan-2-one?
The InChIKey is QNRDQHLMYCVTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-10-4-3-7-17(15(18)14(10)16-2)9-12-6-5-11-8-13(11)12/h10-14,16H,3-9H2,1-2H3.
What are the key properties of 1-(2-bicyclo[3.1.0]hexanylmethyl)-4-methyl-3-(methylamino)azepan-2-one?
1-(2-bicyclo[3.1.0]hexanylmethyl)-4-methyl-3-(methylamino)azepan-2-one has a molecular weight of 250.39 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[3.1.0]hexanylmethyl)-4-methyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 20589742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).