N-[[prop-2-enoyl-(prop-2-enoylamino)amino]methyl]prop-2-enamide

C10H13N3O3 — CID 139806056

IUPACN-[[prop-2-enoyl-(prop-2-enoylamino)amino]methyl]prop-2-enamide
SMILESC=CC(=O)NCN(NC(=O)C=C)C(=O)C=C
InChIInChI=1S/C10H13N3O3/c1-4-8(14)11-7-13(10(16)6-3)12-9(15)5-2/h4-6H,1-3,7H2,(H,11,14)(H,12,15)
InChIKeyGXNAPDDXHKENIL-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.52
Rot. Bonds5

About N-[[prop-2-enoyl-(prop-2-enoylamino)amino]methyl]prop-2-enamide

N-[[prop-2-enoyl-(prop-2-enoylamino)amino]methyl]prop-2-enamide (PubChem CID 139806056) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is N-[[prop-2-enoyl-(prop-2-enoylamino)amino]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[prop-2-enoyl-(prop-2-enoylamino)amino]methyl]prop-2-enamide
PubChem CID139806056
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC NameN-[[prop-2-enoyl-(prop-2-enoylamino)amino]methyl]prop-2-enamide
SMILESC=CC(=O)NCN(NC(=O)C=C)C(=O)C=C
InChIInChI=1S/C10H13N3O3/c1-4-8(14)11-7-13(10(16)6-3)12-9(15)5-2/h4-6H,1-3,7H2,(H,11,14)(H,12,15)
InChIKeyGXNAPDDXHKENIL-UHFFFAOYSA-N
XLogP-0.52
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[prop-2-enoyl-(prop-2-enoylamino)amino]methyl]prop-2-enamide?
The IUPAC name of N-[[prop-2-enoyl-(prop-2-enoylamino)amino]methyl]prop-2-enamide (CID 139806056) is N-[[prop-2-enoyl-(prop-2-enoylamino)amino]methyl]prop-2-enamide.
What is the SMILES notation for N-[[prop-2-enoyl-(prop-2-enoylamino)amino]methyl]prop-2-enamide?
The canonical SMILES for N-[[prop-2-enoyl-(prop-2-enoylamino)amino]methyl]prop-2-enamide is C=CC(=O)NCN(NC(=O)C=C)C(=O)C=C.
What is the InChIKey of N-[[prop-2-enoyl-(prop-2-enoylamino)amino]methyl]prop-2-enamide?
The InChIKey is GXNAPDDXHKENIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-4-8(14)11-7-13(10(16)6-3)12-9(15)5-2/h4-6H,1-3,7H2,(H,11,14)(H,12,15).
What are the key properties of N-[[prop-2-enoyl-(prop-2-enoylamino)amino]methyl]prop-2-enamide?
N-[[prop-2-enoyl-(prop-2-enoylamino)amino]methyl]prop-2-enamide has a molecular weight of 223.23 g/mol, XLogP of -0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[prop-2-enoyl-(prop-2-enoylamino)amino]methyl]prop-2-enamide is sourced from PubChem (CID 139806056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).