2-(2-oxobutylamino)cycloheptan-1-one

C11H19NO2 — CID 20698656

IUPAC2-(2-oxobutylamino)cycloheptan-1-one
SMILESCCC(=O)CNC1CCCCCC1=O
InChIInChI=1S/C11H19NO2/c1-2-9(13)8-12-10-6-4-3-5-7-11(10)14/h10,12H,2-8H2,1H3
InChIKeyHOARXUGOOITMEC-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.46
Rot. Bonds4

About 2-(2-oxobutylamino)cycloheptan-1-one

2-(2-oxobutylamino)cycloheptan-1-one (PubChem CID 20698656) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(2-oxobutylamino)cycloheptan-1-one.

Molecular Properties

Compound Name2-(2-oxobutylamino)cycloheptan-1-one
PubChem CID20698656
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-(2-oxobutylamino)cycloheptan-1-one
SMILESCCC(=O)CNC1CCCCCC1=O
InChIInChI=1S/C11H19NO2/c1-2-9(13)8-12-10-6-4-3-5-7-11(10)14/h10,12H,2-8H2,1H3
InChIKeyHOARXUGOOITMEC-UHFFFAOYSA-N
XLogP1.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxobutylamino)cycloheptan-1-one?
The IUPAC name of 2-(2-oxobutylamino)cycloheptan-1-one (CID 20698656) is 2-(2-oxobutylamino)cycloheptan-1-one.
What is the SMILES notation for 2-(2-oxobutylamino)cycloheptan-1-one?
The canonical SMILES for 2-(2-oxobutylamino)cycloheptan-1-one is CCC(=O)CNC1CCCCCC1=O.
What is the InChIKey of 2-(2-oxobutylamino)cycloheptan-1-one?
The InChIKey is HOARXUGOOITMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-9(13)8-12-10-6-4-3-5-7-11(10)14/h10,12H,2-8H2,1H3.
What are the key properties of 2-(2-oxobutylamino)cycloheptan-1-one?
2-(2-oxobutylamino)cycloheptan-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxobutylamino)cycloheptan-1-one is sourced from PubChem (CID 20698656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).