2-(methylamino)-N-propylprop-2-enamide

C7H14N2O — CID 87416542

IUPAC2-(methylamino)-N-propylprop-2-enamide
SMILESC=C(NC)C(=O)NCCC
InChIInChI=1S/C7H14N2O/c1-4-5-9-7(10)6(2)8-3/h8H,2,4-5H2,1,3H3,(H,9,10)
InChIKeyNBLVSNPFINHCMH-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.25
Rot. Bonds4

About 2-(methylamino)-N-propylprop-2-enamide

2-(methylamino)-N-propylprop-2-enamide (PubChem CID 87416542) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-(methylamino)-N-propylprop-2-enamide.

Molecular Properties

Compound Name2-(methylamino)-N-propylprop-2-enamide
PubChem CID87416542
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name2-(methylamino)-N-propylprop-2-enamide
SMILESC=C(NC)C(=O)NCCC
InChIInChI=1S/C7H14N2O/c1-4-5-9-7(10)6(2)8-3/h8H,2,4-5H2,1,3H3,(H,9,10)
InChIKeyNBLVSNPFINHCMH-UHFFFAOYSA-N
XLogP0.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.25
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 2-(methylamino)-N-propylprop-2-enamide?
The IUPAC name of 2-(methylamino)-N-propylprop-2-enamide (CID 87416542) is 2-(methylamino)-N-propylprop-2-enamide.
What is the SMILES notation for 2-(methylamino)-N-propylprop-2-enamide?
The canonical SMILES for 2-(methylamino)-N-propylprop-2-enamide is C=C(NC)C(=O)NCCC.
What is the InChIKey of 2-(methylamino)-N-propylprop-2-enamide?
The InChIKey is NBLVSNPFINHCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-4-5-9-7(10)6(2)8-3/h8H,2,4-5H2,1,3H3,(H,9,10).
What are the key properties of 2-(methylamino)-N-propylprop-2-enamide?
2-(methylamino)-N-propylprop-2-enamide has a molecular weight of 142.20 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-propylprop-2-enamide is sourced from PubChem (CID 87416542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).