2-(methylideneamino)-N-propan-2-ylprop-2-enamide

C7H12N2O — CID 21267047

IUPAC2-(methylideneamino)-N-propan-2-ylprop-2-enamide
SMILESC=NC(=C)C(=O)NC(C)C
InChIInChI=1S/C7H12N2O/c1-5(2)9-7(10)6(3)8-4/h5H,3-4H2,1-2H3,(H,9,10)
InChIKeyXPGWHUKLGFAZBS-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.73
Rot. Bonds3

About 2-(methylideneamino)-N-propan-2-ylprop-2-enamide

2-(methylideneamino)-N-propan-2-ylprop-2-enamide (PubChem CID 21267047) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-(methylideneamino)-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name2-(methylideneamino)-N-propan-2-ylprop-2-enamide
PubChem CID21267047
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-(methylideneamino)-N-propan-2-ylprop-2-enamide
SMILESC=NC(=C)C(=O)NC(C)C
InChIInChI=1S/C7H12N2O/c1-5(2)9-7(10)6(3)8-4/h5H,3-4H2,1-2H3,(H,9,10)
InChIKeyXPGWHUKLGFAZBS-UHFFFAOYSA-N
XLogP0.73
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methylideneamino)-N-propan-2-ylprop-2-enamide?
The IUPAC name of 2-(methylideneamino)-N-propan-2-ylprop-2-enamide (CID 21267047) is 2-(methylideneamino)-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for 2-(methylideneamino)-N-propan-2-ylprop-2-enamide?
The canonical SMILES for 2-(methylideneamino)-N-propan-2-ylprop-2-enamide is C=NC(=C)C(=O)NC(C)C.
What is the InChIKey of 2-(methylideneamino)-N-propan-2-ylprop-2-enamide?
The InChIKey is XPGWHUKLGFAZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5(2)9-7(10)6(3)8-4/h5H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 2-(methylideneamino)-N-propan-2-ylprop-2-enamide?
2-(methylideneamino)-N-propan-2-ylprop-2-enamide has a molecular weight of 140.19 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylideneamino)-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 21267047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).