N-[2-hydroxy-3-(prop-2-enoylamino)propyl]prop-2-enamide

C9H14N2O3 — CID 18997359

IUPACN-[2-hydroxy-3-(prop-2-enoylamino)propyl]prop-2-enamide
SMILESC=CC(=O)NCC(O)CNC(=O)C=C
InChIInChI=1S/C9H14N2O3/c1-3-8(13)10-5-7(12)6-11-9(14)4-2/h3-4,7,12H,1-2,5-6H2,(H,10,13)(H,11,14)
InChIKeyIHBLIOULEUZREV-UHFFFAOYSA-N
MW198.22 g/mol
LogP-1.05
Rot. Bonds6

About N-[2-hydroxy-3-(prop-2-enoylamino)propyl]prop-2-enamide

N-[2-hydroxy-3-(prop-2-enoylamino)propyl]prop-2-enamide (PubChem CID 18997359) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is N-[2-hydroxy-3-(prop-2-enoylamino)propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(prop-2-enoylamino)propyl]prop-2-enamide
PubChem CID18997359
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC NameN-[2-hydroxy-3-(prop-2-enoylamino)propyl]prop-2-enamide
SMILESC=CC(=O)NCC(O)CNC(=O)C=C
InChIInChI=1S/C9H14N2O3/c1-3-8(13)10-5-7(12)6-11-9(14)4-2/h3-4,7,12H,1-2,5-6H2,(H,10,13)(H,11,14)
InChIKeyIHBLIOULEUZREV-UHFFFAOYSA-N
XLogP-1.05
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 N-[2-hydroxy-3-(prop-2-enoylamino)propyl]prop-2-enamide?
The IUPAC name of N-[2-hydroxy-3-(prop-2-enoylamino)propyl]prop-2-enamide (CID 18997359) is N-[2-hydroxy-3-(prop-2-enoylamino)propyl]prop-2-enamide.
What is the SMILES notation for N-[2-hydroxy-3-(prop-2-enoylamino)propyl]prop-2-enamide?
The canonical SMILES for N-[2-hydroxy-3-(prop-2-enoylamino)propyl]prop-2-enamide is C=CC(=O)NCC(O)CNC(=O)C=C.
What is the InChIKey of N-[2-hydroxy-3-(prop-2-enoylamino)propyl]prop-2-enamide?
The InChIKey is IHBLIOULEUZREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-3-8(13)10-5-7(12)6-11-9(14)4-2/h3-4,7,12H,1-2,5-6H2,(H,10,13)(H,11,14).
What are the key properties of N-[2-hydroxy-3-(prop-2-enoylamino)propyl]prop-2-enamide?
N-[2-hydroxy-3-(prop-2-enoylamino)propyl]prop-2-enamide has a molecular weight of 198.22 g/mol, XLogP of -1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(prop-2-enoylamino)propyl]prop-2-enamide is sourced from PubChem (CID 18997359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).