2,2,3,3-tetramethyl-N-(2-methylprop-2-enyl)cyclopropane-1-carboxamide

C12H21NO — CID 114618335

IUPAC2,2,3,3-tetramethyl-N-(2-methylprop-2-enyl)cyclopropane-1-carboxamide
SMILESC=C(C)CNC(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C12H21NO/c1-8(2)7-13-10(14)9-11(3,4)12(9,5)6/h9H,1,7H2,2-6H3,(H,13,14)
InChIKeyKEXDPJHJSFFGBU-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.36
Rot. Bonds3

About 2,2,3,3-tetramethyl-N-(2-methylprop-2-enyl)cyclopropane-1-carboxamide

2,2,3,3-tetramethyl-N-(2-methylprop-2-enyl)cyclopropane-1-carboxamide (PubChem CID 114618335) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-N-(2-methylprop-2-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-N-(2-methylprop-2-enyl)cyclopropane-1-carboxamide
PubChem CID114618335
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2,2,3,3-tetramethyl-N-(2-methylprop-2-enyl)cyclopropane-1-carboxamide
SMILESC=C(C)CNC(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C12H21NO/c1-8(2)7-13-10(14)9-11(3,4)12(9,5)6/h9H,1,7H2,2-6H3,(H,13,14)
InChIKeyKEXDPJHJSFFGBU-UHFFFAOYSA-N
XLogP2.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylprop-2-enyl)cyclopentanecarboxamide
CID 91695769
N-(2-methylprop-2-enyl)spiro[2.3]hexane-2-carboxamide
CID 130891244
2-methylprop-2-enylurea
CID 22226516
N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide
CID 112703892
2-methyl-N-(2-methylprop-2-enyl)pyrrolidine-3-carboxamide
CID 114617185
4-ethyl-2-(2-methylprop-2-enylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114615292
N-fluoro-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 87668860
(2S)-2-hydroxy-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
CID 107833706
N-(4-aminobutyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475681
N-[2-(2-methylprop-2-enylamino)ethyl]acetamide
CID 60691853
3-cyclopentyl-N-(2-methylprop-2-enyl)propanamide
CID 91695995
N-(2-methylprop-2-enyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893920

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-N-(2-methylprop-2-enyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2,3,3-tetramethyl-N-(2-methylprop-2-enyl)cyclopropane-1-carboxamide (CID 114618335) is 2,2,3,3-tetramethyl-N-(2-methylprop-2-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2,3,3-tetramethyl-N-(2-methylprop-2-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2,3,3-tetramethyl-N-(2-methylprop-2-enyl)cyclopropane-1-carboxamide is C=C(C)CNC(=O)C1C(C)(C)C1(C)C.
What is the InChIKey of 2,2,3,3-tetramethyl-N-(2-methylprop-2-enyl)cyclopropane-1-carboxamide?
The InChIKey is KEXDPJHJSFFGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-8(2)7-13-10(14)9-11(3,4)12(9,5)6/h9H,1,7H2,2-6H3,(H,13,14).
What are the key properties of 2,2,3,3-tetramethyl-N-(2-methylprop-2-enyl)cyclopropane-1-carboxamide?
2,2,3,3-tetramethyl-N-(2-methylprop-2-enyl)cyclopropane-1-carboxamide has a molecular weight of 195.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-N-(2-methylprop-2-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 114618335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).