N-(2-oxopropyl)cycloheptanecarboxamide

C11H19NO2 — CID 64996887

IUPACN-(2-oxopropyl)cycloheptanecarboxamide
SMILESCC(=O)CNC(=O)C1CCCCCC1
InChIInChI=1S/C11H19NO2/c1-9(13)8-12-11(14)10-6-4-2-3-5-7-10/h10H,2-8H2,1H3,(H,12,14)
InChIKeySBZNVPGMZTZCJH-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.66
Rot. Bonds3

About N-(2-oxopropyl)cycloheptanecarboxamide

N-(2-oxopropyl)cycloheptanecarboxamide (PubChem CID 64996887) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(2-oxopropyl)cycloheptanecarboxamide.

Molecular Properties

Compound NameN-(2-oxopropyl)cycloheptanecarboxamide
PubChem CID64996887
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-(2-oxopropyl)cycloheptanecarboxamide
SMILESCC(=O)CNC(=O)C1CCCCCC1
InChIInChI=1S/C11H19NO2/c1-9(13)8-12-11(14)10-6-4-2-3-5-7-10/h10H,2-8H2,1H3,(H,12,14)
InChIKeySBZNVPGMZTZCJH-UHFFFAOYSA-N
XLogP1.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylprop-2-enyl)cyclopentanecarboxamide
CID 91695769
4-(methylamino)-N-(2-oxopropyl)cyclohexane-1-carboxamide
CID 122579173
N-(2-oxopropyl)piperidine-3-carboxamide
CID 83629204
N-(2-amino-2-sulfanylideneethyl)cyclooctanecarboxamide
CID 65018324
N-[2-(dimethylamino)-2-oxoethyl]cyclopentanecarboxamide
CID 39969864
N-prop-2-ynylcyclooctanecarboxamide
CID 65020760
N-propylcyclooctanecarboxamide
CID 65022755
N-propylcyclohexanecarboxamide;hydrochloride
CID 174790388
N-(2-methylpropyl)cyclooctanecarboxamide
CID 65022959
tert-butyl 2-(cyclopentanecarbonylamino)acetate
CID 123696523
N-(2-oxopropyl)thiolane-3-carboxamide
CID 64997229
N-[2-(3-methylbutylamino)-2-oxoethyl]cyclohexanecarboxamide
CID 112995138

Frequently Asked Questions

What is the IUPAC name of N-(2-oxopropyl)cycloheptanecarboxamide?
The IUPAC name of N-(2-oxopropyl)cycloheptanecarboxamide (CID 64996887) is N-(2-oxopropyl)cycloheptanecarboxamide.
What is the SMILES notation for N-(2-oxopropyl)cycloheptanecarboxamide?
The canonical SMILES for N-(2-oxopropyl)cycloheptanecarboxamide is CC(=O)CNC(=O)C1CCCCCC1.
What is the InChIKey of N-(2-oxopropyl)cycloheptanecarboxamide?
The InChIKey is SBZNVPGMZTZCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(13)8-12-11(14)10-6-4-2-3-5-7-10/h10H,2-8H2,1H3,(H,12,14).
What are the key properties of N-(2-oxopropyl)cycloheptanecarboxamide?
N-(2-oxopropyl)cycloheptanecarboxamide has a molecular weight of 197.28 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopropyl)cycloheptanecarboxamide is sourced from PubChem (CID 64996887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).