N-[1-(3-cyanophenyl)cyclopropyl]oxirane-2-carboxamide

C13H12N2O2 — CID 154880376

IUPACN-[1-(3-cyanophenyl)cyclopropyl]oxirane-2-carboxamide
SMILESN#Cc1cccc(C2(NC(=O)C3CO3)CC2)c1
InChIInChI=1S/C13H12N2O2/c14-7-9-2-1-3-10(6-9)13(4-5-13)15-12(16)11-8-17-11/h1-3,6,11H,4-5,8H2,(H,15,16)
InChIKeyRYJITMNUAKHUCR-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.06
Rot. Bonds3

About N-[1-(3-cyanophenyl)cyclopropyl]oxirane-2-carboxamide

N-[1-(3-cyanophenyl)cyclopropyl]oxirane-2-carboxamide (PubChem CID 154880376) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-[1-(3-cyanophenyl)cyclopropyl]oxirane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-cyanophenyl)cyclopropyl]oxirane-2-carboxamide
PubChem CID154880376
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC NameN-[1-(3-cyanophenyl)cyclopropyl]oxirane-2-carboxamide
SMILESN#Cc1cccc(C2(NC(=O)C3CO3)CC2)c1
InChIInChI=1S/C13H12N2O2/c14-7-9-2-1-3-10(6-9)13(4-5-13)15-12(16)11-8-17-11/h1-3,6,11H,4-5,8H2,(H,15,16)
InChIKeyRYJITMNUAKHUCR-UHFFFAOYSA-N
XLogP1.06
TPSA65.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.06
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

(1S)-N-[1-(3-cyanophenyl)cyclopropyl]-2,2-difluorocyclopropane-1-carboxamide
CID 125144380
N-[1-(3-cyanophenyl)cyclopropyl]-2-(3-methylazetidin-1-yl)propanamide
CID 122153638
1-[1-(3-cyanophenyl)cyclopropyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea
CID 122156598
N-[1-(3-chlorophenyl)cyclopropyl]morpholine-2-carboxamide
CID 119799441
3-[[4-(3-cyanophenyl)oxan-4-yl]carbamoyl]benzoic acid
CID 154788901
(E)-N-[1-(3-cyanophenyl)cyclopropyl]-4-(dimethylamino)but-2-enamide
CID 146097715
N-[1-(3-cyanophenyl)cyclopropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 122153612
N-[1-(3-cyanophenyl)cyclopropyl]-1-(methoxymethyl)pyrazole-3-carboxamide
CID 122153617
N-[1-(3-cyanophenyl)cyclopropyl]-3-ethoxy-1H-pyrazole-5-carboxamide
CID 122153524
N-[1-(3-cyanophenyl)cyclopropyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide
CID 122153691
4-[[1-(3-cyanophenyl)cyclopropyl]carbamoylamino]-5-phenylpentanoic acid
CID 122027628
N-[1-(3-chlorophenyl)cyclopropyl]piperidine-4-carboxamide
CID 110462274

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyanophenyl)cyclopropyl]oxirane-2-carboxamide?
The IUPAC name of N-[1-(3-cyanophenyl)cyclopropyl]oxirane-2-carboxamide (CID 154880376) is N-[1-(3-cyanophenyl)cyclopropyl]oxirane-2-carboxamide.
What is the SMILES notation for N-[1-(3-cyanophenyl)cyclopropyl]oxirane-2-carboxamide?
The canonical SMILES for N-[1-(3-cyanophenyl)cyclopropyl]oxirane-2-carboxamide is N#Cc1cccc(C2(NC(=O)C3CO3)CC2)c1.
What is the InChIKey of N-[1-(3-cyanophenyl)cyclopropyl]oxirane-2-carboxamide?
The InChIKey is RYJITMNUAKHUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c14-7-9-2-1-3-10(6-9)13(4-5-13)15-12(16)11-8-17-11/h1-3,6,11H,4-5,8H2,(H,15,16).
What are the key properties of N-[1-(3-cyanophenyl)cyclopropyl]oxirane-2-carboxamide?
N-[1-(3-cyanophenyl)cyclopropyl]oxirane-2-carboxamide has a molecular weight of 228.25 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyanophenyl)cyclopropyl]oxirane-2-carboxamide is sourced from PubChem (CID 154880376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).