azane;2-methylprop-2-enamide

C4H10N2O — CID 18359703

IUPACazane;2-methylprop-2-enamide
SMILESC=C(C)C(N)=O.N
InChIInChI=1S/C4H7NO.H3N/c1-3(2)4(5)6;/h1H2,2H3,(H2,5,6);1H3
InChIKeyGILDFPGOCAQXOP-UHFFFAOYSA-N
MW102.14 g/mol
LogP0.21
Rot. Bonds1

About azane;2-methylprop-2-enamide

azane;2-methylprop-2-enamide (PubChem CID 18359703) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is azane;2-methylprop-2-enamide.

Molecular Properties

Compound Nameazane;2-methylprop-2-enamide
PubChem CID18359703
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC Nameazane;2-methylprop-2-enamide
SMILESC=C(C)C(N)=O.N
InChIInChI=1S/C4H7NO.H3N/c1-3(2)4(5)6;/h1H2,2H3,(H2,5,6);1H3
InChIKeyGILDFPGOCAQXOP-UHFFFAOYSA-N
XLogP0.21
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;2-methylprop-2-enamide?
The IUPAC name of azane;2-methylprop-2-enamide (CID 18359703) is azane;2-methylprop-2-enamide.
What is the SMILES notation for azane;2-methylprop-2-enamide?
The canonical SMILES for azane;2-methylprop-2-enamide is C=C(C)C(N)=O.N.
What is the InChIKey of azane;2-methylprop-2-enamide?
The InChIKey is GILDFPGOCAQXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.H3N/c1-3(2)4(5)6;/h1H2,2H3,(H2,5,6);1H3.
What are the key properties of azane;2-methylprop-2-enamide?
azane;2-methylprop-2-enamide has a molecular weight of 102.14 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-methylprop-2-enamide is sourced from PubChem (CID 18359703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).