N-methyl-N-prop-2-enoylaziridine-1-carboxamide

C7H10N2O2 — CID 174963023

IUPACN-methyl-N-prop-2-enoylaziridine-1-carboxamide
SMILESC=CC(=O)N(C)C(=O)N1CC1
InChIInChI=1S/C7H10N2O2/c1-3-6(10)8(2)7(11)9-4-5-9/h3H,1,4-5H2,2H3
InChIKeyLVKISVYXRXUCRC-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.07
Rot. Bonds1

About N-methyl-N-prop-2-enoylaziridine-1-carboxamide

N-methyl-N-prop-2-enoylaziridine-1-carboxamide (PubChem CID 174963023) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is N-methyl-N-prop-2-enoylaziridine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-prop-2-enoylaziridine-1-carboxamide
PubChem CID174963023
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC NameN-methyl-N-prop-2-enoylaziridine-1-carboxamide
SMILESC=CC(=O)N(C)C(=O)N1CC1
InChIInChI=1S/C7H10N2O2/c1-3-6(10)8(2)7(11)9-4-5-9/h3H,1,4-5H2,2H3
InChIKeyLVKISVYXRXUCRC-UHFFFAOYSA-N
XLogP0.07
TPSA40.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-prop-2-enoylaziridine-1-carboxamide?
The IUPAC name of N-methyl-N-prop-2-enoylaziridine-1-carboxamide (CID 174963023) is N-methyl-N-prop-2-enoylaziridine-1-carboxamide.
What is the SMILES notation for N-methyl-N-prop-2-enoylaziridine-1-carboxamide?
The canonical SMILES for N-methyl-N-prop-2-enoylaziridine-1-carboxamide is C=CC(=O)N(C)C(=O)N1CC1.
What is the InChIKey of N-methyl-N-prop-2-enoylaziridine-1-carboxamide?
The InChIKey is LVKISVYXRXUCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-3-6(10)8(2)7(11)9-4-5-9/h3H,1,4-5H2,2H3.
What are the key properties of N-methyl-N-prop-2-enoylaziridine-1-carboxamide?
N-methyl-N-prop-2-enoylaziridine-1-carboxamide has a molecular weight of 154.17 g/mol, XLogP of 0.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-enoylaziridine-1-carboxamide is sourced from PubChem (CID 174963023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).