N-(4-cyano-2-methylphenyl)oxirane-2-carboxamide

C11H10N2O2 — CID 155732307

IUPACN-(4-cyano-2-methylphenyl)oxirane-2-carboxamide
SMILESCc1cc(C#N)ccc1NC(=O)C1CO1
InChIInChI=1S/C11H10N2O2/c1-7-4-8(5-12)2-3-9(7)13-11(14)10-6-15-10/h2-4,10H,6H2,1H3,(H,13,14)
InChIKeyOXSSUDPROTWIIT-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.20
Rot. Bonds2

About N-(4-cyano-2-methylphenyl)oxirane-2-carboxamide

N-(4-cyano-2-methylphenyl)oxirane-2-carboxamide (PubChem CID 155732307) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is N-(4-cyano-2-methylphenyl)oxirane-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-2-methylphenyl)oxirane-2-carboxamide
PubChem CID155732307
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC NameN-(4-cyano-2-methylphenyl)oxirane-2-carboxamide
SMILESCc1cc(C#N)ccc1NC(=O)C1CO1
InChIInChI=1S/C11H10N2O2/c1-7-4-8(5-12)2-3-9(7)13-11(14)10-6-15-10/h2-4,10H,6H2,1H3,(H,13,14)
InChIKeyOXSSUDPROTWIIT-UHFFFAOYSA-N
XLogP1.20
TPSA65.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-[4-cyano-2-methyl-5-(trifluoromethyl)phenyl]oxirane-2-carboxamide;ethane
CID 155732273
N-(2-bromo-4-cyanophenyl)oxolane-2-carboxamide
CID 113231348
N-(2-chloro-4-cyanophenyl)-5-methyloxolane-3-carboxamide
CID 102676300
N-(4-cyano-2-methylphenyl)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide
CID 126600150
4-[(4-hydroxycyclohexyl)amino]-3-methylbenzonitrile
CID 60929293
4-chloro-N-(4-cyano-2-methylphenyl)butanamide
CID 25155549
3-methyl-4-(methylamino)benzonitrile
CID 23343732
(2R,5S)-5-[(2-chloro-4-cyanophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 107807123
(2S)-N-(4-bromo-2-methylphenyl)oxetane-2-carboxamide
CID 97247026
5-[(4-cyano-2-methoxyphenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427504
N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]-5-methyloxolane-3-carboxamide
CID 114826565
5-[(2-chloro-5-cyanophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688731

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-methylphenyl)oxirane-2-carboxamide?
The IUPAC name of N-(4-cyano-2-methylphenyl)oxirane-2-carboxamide (CID 155732307) is N-(4-cyano-2-methylphenyl)oxirane-2-carboxamide.
What is the SMILES notation for N-(4-cyano-2-methylphenyl)oxirane-2-carboxamide?
The canonical SMILES for N-(4-cyano-2-methylphenyl)oxirane-2-carboxamide is Cc1cc(C#N)ccc1NC(=O)C1CO1.
What is the InChIKey of N-(4-cyano-2-methylphenyl)oxirane-2-carboxamide?
The InChIKey is OXSSUDPROTWIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-7-4-8(5-12)2-3-9(7)13-11(14)10-6-15-10/h2-4,10H,6H2,1H3,(H,13,14).
What are the key properties of N-(4-cyano-2-methylphenyl)oxirane-2-carboxamide?
N-(4-cyano-2-methylphenyl)oxirane-2-carboxamide has a molecular weight of 202.21 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-methylphenyl)oxirane-2-carboxamide is sourced from PubChem (CID 155732307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).