N-(2,2-dimethylpropanoyl)cyclopentene-1-carboxamide

C11H17NO2 — CID 86059800

IUPACN-(2,2-dimethylpropanoyl)cyclopentene-1-carboxamide
SMILESCC(C)(C)C(=O)NC(=O)C1=CCCC1
InChIInChI=1S/C11H17NO2/c1-11(2,3)10(14)12-9(13)8-6-4-5-7-8/h6H,4-5,7H2,1-3H3,(H,12,13,14)
InChIKeyXRENTJDTCFJIIM-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.79
Rot. Bonds1

About N-(2,2-dimethylpropanoyl)cyclopentene-1-carboxamide

N-(2,2-dimethylpropanoyl)cyclopentene-1-carboxamide (PubChem CID 86059800) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N-(2,2-dimethylpropanoyl)cyclopentene-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropanoyl)cyclopentene-1-carboxamide
PubChem CID86059800
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN-(2,2-dimethylpropanoyl)cyclopentene-1-carboxamide
SMILESCC(C)(C)C(=O)NC(=O)C1=CCCC1
InChIInChI=1S/C11H17NO2/c1-11(2,3)10(14)12-9(13)8-6-4-5-7-8/h6H,4-5,7H2,1-3H3,(H,12,13,14)
InChIKeyXRENTJDTCFJIIM-UHFFFAOYSA-N
XLogP1.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Urea, 1-(2-ethylidenehexanoyl)-
CID 6437787
N-tert-butylcyclopentene-1-carboxamide
CID 15647929
3-Octadecylpyrrole-2,5-dione
CID 19810759
Butylmaleimide
CID 21880474
Propyl maleimide
CID 21880478
Octylmaleimide
CID 21880496
Hexylmaleimide
CID 21880509
3,3'-(Ethane-1,2-diyl)bis(1H-pyrrole-2,5-dione)
CID 22721433
Hexamethylene-bis-maleimide
CID 22989081
3-methyl-4-propyl-1H-pyrrole-2,5-dione
CID 44718966
Ethylpropylmaleinimide
CID 85864657
3-Ethyl-4-(1-fluorobutyl)pyrrole-2,5-dione
CID 139973193

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropanoyl)cyclopentene-1-carboxamide?
The IUPAC name of N-(2,2-dimethylpropanoyl)cyclopentene-1-carboxamide (CID 86059800) is N-(2,2-dimethylpropanoyl)cyclopentene-1-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropanoyl)cyclopentene-1-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropanoyl)cyclopentene-1-carboxamide is CC(C)(C)C(=O)NC(=O)C1=CCCC1.
What is the InChIKey of N-(2,2-dimethylpropanoyl)cyclopentene-1-carboxamide?
The InChIKey is XRENTJDTCFJIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-11(2,3)10(14)12-9(13)8-6-4-5-7-8/h6H,4-5,7H2,1-3H3,(H,12,13,14).
What are the key properties of N-(2,2-dimethylpropanoyl)cyclopentene-1-carboxamide?
N-(2,2-dimethylpropanoyl)cyclopentene-1-carboxamide has a molecular weight of 195.26 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropanoyl)cyclopentene-1-carboxamide is sourced from PubChem (CID 86059800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).