N-[hydroxy-(prop-2-enoylamino)methyl]prop-2-enamide

C7H10N2O3 — CID 18956865

IUPACN-[hydroxy-(prop-2-enoylamino)methyl]prop-2-enamide
SMILESC=CC(=O)NC(O)NC(=O)C=C
InChIInChI=1S/C7H10N2O3/c1-3-5(10)8-7(12)9-6(11)4-2/h3-4,7,12H,1-2H2,(H,8,10)(H,9,11)
InChIKeyLLMUAUQSQLAVOT-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.13
Rot. Bonds4

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

N-[hydroxy-(prop-2-enoylamino)methyl]prop-2-enamide (PubChem CID 18956865) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is N-[hydroxy-(prop-2-enoylamino)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[hydroxy-(prop-2-enoylamino)methyl]prop-2-enamide
PubChem CID18956865
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC NameN-[hydroxy-(prop-2-enoylamino)methyl]prop-2-enamide
SMILESC=CC(=O)NC(O)NC(=O)C=C
InChIInChI=1S/C7H10N2O3/c1-3-5(10)8-7(12)9-6(11)4-2/h3-4,7,12H,1-2H2,(H,8,10)(H,9,11)
InChIKeyLLMUAUQSQLAVOT-UHFFFAOYSA-N
XLogP-1.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[hydroxy-(prop-2-enoylamino)methyl]prop-2-enamide?
The IUPAC name of N-[hydroxy-(prop-2-enoylamino)methyl]prop-2-enamide (CID 18956865) is N-[hydroxy-(prop-2-enoylamino)methyl]prop-2-enamide.
What is the SMILES notation for N-[hydroxy-(prop-2-enoylamino)methyl]prop-2-enamide?
The canonical SMILES for N-[hydroxy-(prop-2-enoylamino)methyl]prop-2-enamide is C=CC(=O)NC(O)NC(=O)C=C.
What is the InChIKey of N-[hydroxy-(prop-2-enoylamino)methyl]prop-2-enamide?
The InChIKey is LLMUAUQSQLAVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-3-5(10)8-7(12)9-6(11)4-2/h3-4,7,12H,1-2H2,(H,8,10)(H,9,11).
What are the key properties of N-[hydroxy-(prop-2-enoylamino)methyl]prop-2-enamide?
N-[hydroxy-(prop-2-enoylamino)methyl]prop-2-enamide has a molecular weight of 170.17 g/mol, XLogP of -1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[hydroxy-(prop-2-enoylamino)methyl]prop-2-enamide is sourced from PubChem (CID 18956865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).