N-propan-2-ylaziridine-1-carboxamide

C6H12N2O — CID 19471

IUPACN-propan-2-ylaziridine-1-carboxamide
SMILESCC(C)NC(=O)N1CC1
InChIInChI=1S/C6H12N2O/c1-5(2)7-6(9)8-3-4-8/h5H,3-4H2,1-2H3,(H,7,9)
InChIKeyZSBNMEOIEVHFJT-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.42
Rot. Bonds1

About N-propan-2-ylaziridine-1-carboxamide

N-propan-2-ylaziridine-1-carboxamide (PubChem CID 19471) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N-propan-2-ylaziridine-1-carboxamide.

Molecular Properties

Compound NameN-propan-2-ylaziridine-1-carboxamide
PubChem CID19471
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN-propan-2-ylaziridine-1-carboxamide
SMILESCC(C)NC(=O)N1CC1
InChIInChI=1S/C6H12N2O/c1-5(2)7-6(9)8-3-4-8/h5H,3-4H2,1-2H3,(H,7,9)
InChIKeyZSBNMEOIEVHFJT-UHFFFAOYSA-N
XLogP0.42
TPSA32.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylaziridine-1-carboxamide?
The IUPAC name of N-propan-2-ylaziridine-1-carboxamide (CID 19471) is N-propan-2-ylaziridine-1-carboxamide.
What is the SMILES notation for N-propan-2-ylaziridine-1-carboxamide?
The canonical SMILES for N-propan-2-ylaziridine-1-carboxamide is CC(C)NC(=O)N1CC1.
What is the InChIKey of N-propan-2-ylaziridine-1-carboxamide?
The InChIKey is ZSBNMEOIEVHFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-5(2)7-6(9)8-3-4-8/h5H,3-4H2,1-2H3,(H,7,9).
What are the key properties of N-propan-2-ylaziridine-1-carboxamide?
N-propan-2-ylaziridine-1-carboxamide has a molecular weight of 128.17 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylaziridine-1-carboxamide is sourced from PubChem (CID 19471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).