2-(prop-2-enylamino)prop-2-enamide

C6H10N2O — CID 87506813

IUPAC2-(prop-2-enylamino)prop-2-enamide
SMILESC=CCNC(=C)C(N)=O
InChIInChI=1S/C6H10N2O/c1-3-4-8-5(2)6(7)9/h3,8H,1-2,4H2,(H2,7,9)
InChIKeyJAKDCXDUQNGNDD-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.24
Rot. Bonds4

About 2-(prop-2-enylamino)prop-2-enamide

2-(prop-2-enylamino)prop-2-enamide (PubChem CID 87506813) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-(prop-2-enylamino)prop-2-enamide.

Molecular Properties

Compound Name2-(prop-2-enylamino)prop-2-enamide
PubChem CID87506813
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2-(prop-2-enylamino)prop-2-enamide
SMILESC=CCNC(=C)C(N)=O
InChIInChI=1S/C6H10N2O/c1-3-4-8-5(2)6(7)9/h3,8H,1-2,4H2,(H2,7,9)
InChIKeyJAKDCXDUQNGNDD-UHFFFAOYSA-N
XLogP-0.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-(prop-2-enylamino)prop-2-enamide?
The IUPAC name of 2-(prop-2-enylamino)prop-2-enamide (CID 87506813) is 2-(prop-2-enylamino)prop-2-enamide.
What is the SMILES notation for 2-(prop-2-enylamino)prop-2-enamide?
The canonical SMILES for 2-(prop-2-enylamino)prop-2-enamide is C=CCNC(=C)C(N)=O.
What is the InChIKey of 2-(prop-2-enylamino)prop-2-enamide?
The InChIKey is JAKDCXDUQNGNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-3-4-8-5(2)6(7)9/h3,8H,1-2,4H2,(H2,7,9).
What are the key properties of 2-(prop-2-enylamino)prop-2-enamide?
2-(prop-2-enylamino)prop-2-enamide has a molecular weight of 126.16 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylamino)prop-2-enamide is sourced from PubChem (CID 87506813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).