N-(aziridin-2-ylmethyl)-2-methylprop-2-enamide

C7H12N2O — CID 22238530

IUPACN-(aziridin-2-ylmethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC1CN1
InChIInChI=1S/C7H12N2O/c1-5(2)7(10)9-4-6-3-8-6/h6,8H,1,3-4H2,2H3,(H,9,10)
InChIKeyBQMSIWBRZMUDOM-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.35
Rot. Bonds3

About N-(aziridin-2-ylmethyl)-2-methylprop-2-enamide

N-(aziridin-2-ylmethyl)-2-methylprop-2-enamide (PubChem CID 22238530) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is N-(aziridin-2-ylmethyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(aziridin-2-ylmethyl)-2-methylprop-2-enamide
PubChem CID22238530
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameN-(aziridin-2-ylmethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC1CN1
InChIInChI=1S/C7H12N2O/c1-5(2)7(10)9-4-6-3-8-6/h6,8H,1,3-4H2,2H3,(H,9,10)
InChIKeyBQMSIWBRZMUDOM-UHFFFAOYSA-N
XLogP-0.35
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
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-(aziridin-2-ylmethyl)-2-methylprop-2-enamide?
The IUPAC name of N-(aziridin-2-ylmethyl)-2-methylprop-2-enamide (CID 22238530) is N-(aziridin-2-ylmethyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(aziridin-2-ylmethyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(aziridin-2-ylmethyl)-2-methylprop-2-enamide is C=C(C)C(=O)NCC1CN1.
What is the InChIKey of N-(aziridin-2-ylmethyl)-2-methylprop-2-enamide?
The InChIKey is BQMSIWBRZMUDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5(2)7(10)9-4-6-3-8-6/h6,8H,1,3-4H2,2H3,(H,9,10).
What are the key properties of N-(aziridin-2-ylmethyl)-2-methylprop-2-enamide?
N-(aziridin-2-ylmethyl)-2-methylprop-2-enamide has a molecular weight of 140.19 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aziridin-2-ylmethyl)-2-methylprop-2-enamide is sourced from PubChem (CID 22238530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).