2-cyano-N-(furan-2-carbonyl)aziridine-1-carboxamide

C9H7N3O3 — CID 21161921

IUPAC2-cyano-N-(furan-2-carbonyl)aziridine-1-carboxamide
SMILESN#CC1CN1C(=O)NC(=O)c1ccco1
InChIInChI=1S/C9H7N3O3/c10-4-6-5-12(6)9(14)11-8(13)7-2-1-3-15-7/h1-3,6H,5H2,(H,11,13,14)
InChIKeyJSFYMEFNTNYZJP-UHFFFAOYSA-N
MW205.17 g/mol
LogP0.34
Rot. Bonds1

About 2-cyano-N-(furan-2-carbonyl)aziridine-1-carboxamide

2-cyano-N-(furan-2-carbonyl)aziridine-1-carboxamide (PubChem CID 21161921) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 2-cyano-N-(furan-2-carbonyl)aziridine-1-carboxamide.

Molecular Properties

Compound Name2-cyano-N-(furan-2-carbonyl)aziridine-1-carboxamide
PubChem CID21161921
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name2-cyano-N-(furan-2-carbonyl)aziridine-1-carboxamide
SMILESN#CC1CN1C(=O)NC(=O)c1ccco1
InChIInChI=1S/C9H7N3O3/c10-4-6-5-12(6)9(14)11-8(13)7-2-1-3-15-7/h1-3,6H,5H2,(H,11,13,14)
InChIKeyJSFYMEFNTNYZJP-UHFFFAOYSA-N
XLogP0.34
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-carbonyl)pyrrolidine-1-carboxamide
CID 110865962
N-(furan-2-carbonyl)-4-methylpiperidine-1-carboxamide
CID 110865978
N-(furan-2-carbonyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 110866629
N-[2-(3,5-dimethylpiperazin-1-yl)acetyl]furan-2-carboxamide
CID 63872942
N-(2-hydroxy-2-methylpropanoyl)furan-2-carboxamide
CID 174420359
N-(1-ethylazetidin-3-yl)furan-2-carboxamide
CID 130639837
2-cyano-N-[3-(5-methylsulfonylfuran-2-yl)prop-2-enoyl]aziridine-1-carboxamide
CID 54088021
furan-2-yl-(2-methylaziridin-1-yl)methanone
CID 71425455
N-chlorofuran-2-carboxamide
CID 18537247
N-(1-cyanocyclooctyl)furan-2-carboxamide
CID 54904517
N-[2-(4-aminopiperidin-1-yl)acetyl]furan-2-carboxamide
CID 43556804
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(furan-2-carbonyl)aziridine-1-carboxamide?
The IUPAC name of 2-cyano-N-(furan-2-carbonyl)aziridine-1-carboxamide (CID 21161921) is 2-cyano-N-(furan-2-carbonyl)aziridine-1-carboxamide.
What is the SMILES notation for 2-cyano-N-(furan-2-carbonyl)aziridine-1-carboxamide?
The canonical SMILES for 2-cyano-N-(furan-2-carbonyl)aziridine-1-carboxamide is N#CC1CN1C(=O)NC(=O)c1ccco1.
What is the InChIKey of 2-cyano-N-(furan-2-carbonyl)aziridine-1-carboxamide?
The InChIKey is JSFYMEFNTNYZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c10-4-6-5-12(6)9(14)11-8(13)7-2-1-3-15-7/h1-3,6H,5H2,(H,11,13,14).
What are the key properties of 2-cyano-N-(furan-2-carbonyl)aziridine-1-carboxamide?
2-cyano-N-(furan-2-carbonyl)aziridine-1-carboxamide has a molecular weight of 205.17 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(furan-2-carbonyl)aziridine-1-carboxamide is sourced from PubChem (CID 21161921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).