1-cyano-N-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxamide

C15H18N2O — CID 115181388

IUPAC1-cyano-N-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxamide
SMILESCc1cc(C)c(C)c(NC(=O)C2(C#N)CC2)c1C
InChIInChI=1S/C15H18N2O/c1-9-7-10(2)12(4)13(11(9)3)17-14(18)15(8-16)5-6-15/h7H,5-6H2,1-4H3,(H,17,18)
InChIKeyGOEZGZSYXDHBGZ-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.16
Rot. Bonds2

About 1-cyano-N-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxamide

1-cyano-N-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxamide (PubChem CID 115181388) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-cyano-N-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxamide
PubChem CID115181388
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-cyano-N-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxamide
SMILESCc1cc(C)c(C)c(NC(=O)C2(C#N)CC2)c1C
InChIInChI=1S/C15H18N2O/c1-9-7-10(2)12(4)13(11(9)3)17-14(18)15(8-16)5-6-15/h7H,5-6H2,1-4H3,(H,17,18)
InChIKeyGOEZGZSYXDHBGZ-UHFFFAOYSA-N
XLogP3.16
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2,6-dimethylphenyl)-1-cyanocyclobutane-1-carboxamide
CID 80599432
1-cyano-N-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide
CID 80592357
1-[(2,3,5,6-tetramethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 115181806
1-cyano-N-(2,5-difluoro-4-methylphenyl)cyclopropane-1-carboxamide
CID 103586091
methyl 3-[(1-cyanocyclopropanecarbonyl)amino]-4-methylthiophene-2-carboxylate
CID 114915703
1-cyano-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 80599319
1-cyano-N-(2,5-dimethyl-4-nitrophenyl)cyclopropane-1-carboxamide
CID 103145506
N-(2-chloro-6-methylphenyl)-1-cyanocyclopentane-1-carboxamide
CID 66257240
N-(4-bromo-2-methylphenyl)-1-cyanocyclopentane-1-carboxamide
CID 51224336
1-cyano-N-(4-methyl-2-nitrophenyl)cyclopropane-1-carboxamide
CID 107857068
1-cyano-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 80598456
1-cyano-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 80599079

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxamide (CID 115181388) is 1-cyano-N-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxamide is Cc1cc(C)c(C)c(NC(=O)C2(C#N)CC2)c1C.
What is the InChIKey of 1-cyano-N-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxamide?
The InChIKey is GOEZGZSYXDHBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-9-7-10(2)12(4)13(11(9)3)17-14(18)15(8-16)5-6-15/h7H,5-6H2,1-4H3,(H,17,18).
What are the key properties of 1-cyano-N-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxamide?
1-cyano-N-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115181388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).