N-tert-butyl-3,3-dimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide

C15H23NO2 — CID 15548463

IUPACN-tert-butyl-3,3-dimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide
SMILESC=CCN(C(=O)C1=CC(C)(C)CC1=O)C(C)(C)C
InChIInChI=1S/C15H23NO2/c1-7-8-16(14(2,3)4)13(18)11-9-15(5,6)10-12(11)17/h7,9H,1,8,10H2,2-6H3
InChIKeyQQRGFJCZAYBOIY-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.72
Rot. Bonds3

About N-tert-butyl-3,3-dimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide

N-tert-butyl-3,3-dimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide (PubChem CID 15548463) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-tert-butyl-3,3-dimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3,3-dimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide
PubChem CID15548463
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-tert-butyl-3,3-dimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide
SMILESC=CCN(C(=O)C1=CC(C)(C)CC1=O)C(C)(C)C
InChIInChI=1S/C15H23NO2/c1-7-8-16(14(2,3)4)13(18)11-9-15(5,6)10-12(11)17/h7,9H,1,8,10H2,2-6H3
InChIKeyQQRGFJCZAYBOIY-UHFFFAOYSA-N
XLogP2.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-ethylidene-N-methyl-2-oxo-1-pent-2-ynyl-N-prop-2-enylcyclopentane-1-carboxamide
CID 135037624
3,3-dimethyl-5-oxo-N-propan-2-ylcyclopentene-1-carboxamide
CID 11830330
N,N-diethyl-5-oxocyclopentene-1-carboxamide
CID 15548449
5-oxo-N,N-di(propan-2-yl)cyclopentene-1-carboxamide
CID 15548451
N,3,3-trimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide
CID 15548462
N,3,3-trimethyl-5-oxo-N-pent-4-enylcyclopentene-1-carboxamide
CID 101055440
N-tert-butyl-N,3,3-trimethyl-5-oxocyclopentene-1-carboxamide
CID 101055450
3,3-dimethyl-5-oxo-N,N-bis(prop-2-enyl)cyclopentene-1-carboxamide
CID 101994280
3-(3,3-Dimethylbutanoyl)-1-methylpyridin-2-one
CID 58286884
3-tert-butyl-1,6-dimethyl-4-propan-2-yl-2H-azepine-5,7-dione
CID 58414437
3-(2,2-Dimethylpropyl)-1-ethylpyrrole-2,5-dione
CID 90796383
(E)-4-buta-1,3-dien-2-yl-N,N-diethyl-3-oxohept-4-enamide
CID 123442803

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,3-dimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide?
The IUPAC name of N-tert-butyl-3,3-dimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide (CID 15548463) is N-tert-butyl-3,3-dimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide.
What is the SMILES notation for N-tert-butyl-3,3-dimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide?
The canonical SMILES for N-tert-butyl-3,3-dimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide is C=CCN(C(=O)C1=CC(C)(C)CC1=O)C(C)(C)C.
What is the InChIKey of N-tert-butyl-3,3-dimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide?
The InChIKey is QQRGFJCZAYBOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-7-8-16(14(2,3)4)13(18)11-9-15(5,6)10-12(11)17/h7,9H,1,8,10H2,2-6H3.
What are the key properties of N-tert-butyl-3,3-dimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide?
N-tert-butyl-3,3-dimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide has a molecular weight of 249.35 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,3-dimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide is sourced from PubChem (CID 15548463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).