6-oxo-N,N-di(propan-2-yl)cyclohexene-1-carboxamide

C13H21NO2 — CID 15548452

IUPAC6-oxo-N,N-di(propan-2-yl)cyclohexene-1-carboxamide
SMILESCC(C)N(C(=O)C1=CCCCC1=O)C(C)C
InChIInChI=1S/C13H21NO2/c1-9(2)14(10(3)4)13(16)11-7-5-6-8-12(11)15/h7,9-10H,5-6,8H2,1-4H3
InChIKeyGIWZBVFJSBVUNW-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.31
Rot. Bonds3

About 6-oxo-N,N-di(propan-2-yl)cyclohexene-1-carboxamide

6-oxo-N,N-di(propan-2-yl)cyclohexene-1-carboxamide (PubChem CID 15548452) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 6-oxo-N,N-di(propan-2-yl)cyclohexene-1-carboxamide.

Molecular Properties

Compound Name6-oxo-N,N-di(propan-2-yl)cyclohexene-1-carboxamide
PubChem CID15548452
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name6-oxo-N,N-di(propan-2-yl)cyclohexene-1-carboxamide
SMILESCC(C)N(C(=O)C1=CCCCC1=O)C(C)C
InChIInChI=1S/C13H21NO2/c1-9(2)14(10(3)4)13(16)11-7-5-6-8-12(11)15/h7,9-10H,5-6,8H2,1-4H3
InChIKeyGIWZBVFJSBVUNW-UHFFFAOYSA-N
XLogP2.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

(2S)-2,4-dimethyl-5-octanoyl-2,3-dihydro-1H-pyridin-6-one
CID 118589556
6-ethyl-N,N-diisopropyl-cyclohexene-1-carboxamide
CID 12947851
N,N-diethyl-5-oxocyclopentene-1-carboxamide
CID 15548449
Piperidine, 1-[(5-oxo-1-cyclopenten-1-YL)carbonyl]-
CID 15548450
5-oxo-N,N-di(propan-2-yl)cyclopentene-1-carboxamide
CID 15548451
2-(Piperidine-1-carbonyl)cyclohex-2-en-1-one
CID 15548453
3-(Dimethylamino)-6-oxocyclohexene-1-carboxamide
CID 10035263
N-methyl-N-octadecyl-3,6-dioxocyclohexa-1,4-diene-1-carboxamide
CID 20437497
1-Ethyl-3-pentylpyrrole-2,5-dione
CID 22388773
2-Acetyl-4-(dimethylamino)cyclohex-2-en-1-one
CID 59132817
1,3-Dipentylpyrrole-2,5-dione
CID 66706338
3-acetyl-2-butyl-2,5-dihydro-1H-pyridin-6-one
CID 67860019

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N,N-di(propan-2-yl)cyclohexene-1-carboxamide?
The IUPAC name of 6-oxo-N,N-di(propan-2-yl)cyclohexene-1-carboxamide (CID 15548452) is 6-oxo-N,N-di(propan-2-yl)cyclohexene-1-carboxamide.
What is the SMILES notation for 6-oxo-N,N-di(propan-2-yl)cyclohexene-1-carboxamide?
The canonical SMILES for 6-oxo-N,N-di(propan-2-yl)cyclohexene-1-carboxamide is CC(C)N(C(=O)C1=CCCCC1=O)C(C)C.
What is the InChIKey of 6-oxo-N,N-di(propan-2-yl)cyclohexene-1-carboxamide?
The InChIKey is GIWZBVFJSBVUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9(2)14(10(3)4)13(16)11-7-5-6-8-12(11)15/h7,9-10H,5-6,8H2,1-4H3.
What are the key properties of 6-oxo-N,N-di(propan-2-yl)cyclohexene-1-carboxamide?
6-oxo-N,N-di(propan-2-yl)cyclohexene-1-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N,N-di(propan-2-yl)cyclohexene-1-carboxamide is sourced from PubChem (CID 15548452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).