2-cyano-N-hexanoylaziridine-1-carboxamide

C10H15N3O2 — CID 21162018

IUPAC2-cyano-N-hexanoylaziridine-1-carboxamide
SMILESCCCCCC(=O)NC(=O)N1CC1C#N
InChIInChI=1S/C10H15N3O2/c1-2-3-4-5-9(14)12-10(15)13-7-8(13)6-11/h8H,2-5,7H2,1H3,(H,12,14,15)
InChIKeyKTSWCDZEVHXJPP-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.01
Rot. Bonds4

About 2-cyano-N-hexanoylaziridine-1-carboxamide

2-cyano-N-hexanoylaziridine-1-carboxamide (PubChem CID 21162018) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-cyano-N-hexanoylaziridine-1-carboxamide.

Molecular Properties

Compound Name2-cyano-N-hexanoylaziridine-1-carboxamide
PubChem CID21162018
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-cyano-N-hexanoylaziridine-1-carboxamide
SMILESCCCCCC(=O)NC(=O)N1CC1C#N
InChIInChI=1S/C10H15N3O2/c1-2-3-4-5-9(14)12-10(15)13-7-8(13)6-11/h8H,2-5,7H2,1H3,(H,12,14,15)
InChIKeyKTSWCDZEVHXJPP-UHFFFAOYSA-N
XLogP1.01
TPSA72.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-(cyanomethyl)decanamide
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S-methyl N-hexanoylcarbamothioate
CID 14736947
N-carbamoyloctanamide
CID 24740663
6-[(2-cyanomorpholine-4-carbonyl)amino]-6-oxohexanoic acid
CID 79680359
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CID 150179955
N-prop-1-en-2-ylheptanamide
CID 89354267
1-N',9-N'-di(heptanoyl)nonanedihydrazide
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1-hexanoylpiperidine-4-carbonitrile
CID 49062755

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-hexanoylaziridine-1-carboxamide?
The IUPAC name of 2-cyano-N-hexanoylaziridine-1-carboxamide (CID 21162018) is 2-cyano-N-hexanoylaziridine-1-carboxamide.
What is the SMILES notation for 2-cyano-N-hexanoylaziridine-1-carboxamide?
The canonical SMILES for 2-cyano-N-hexanoylaziridine-1-carboxamide is CCCCCC(=O)NC(=O)N1CC1C#N.
What is the InChIKey of 2-cyano-N-hexanoylaziridine-1-carboxamide?
The InChIKey is KTSWCDZEVHXJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-2-3-4-5-9(14)12-10(15)13-7-8(13)6-11/h8H,2-5,7H2,1H3,(H,12,14,15).
What are the key properties of 2-cyano-N-hexanoylaziridine-1-carboxamide?
2-cyano-N-hexanoylaziridine-1-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-hexanoylaziridine-1-carboxamide is sourced from PubChem (CID 21162018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).