N-(1-hydroxypropyl)prop-2-enamide

C12H22N2O4 — CID 87194576

IUPACN-(1-hydroxypropyl)prop-2-enamide
SMILESC=CC(=O)NC(O)CC.C=CC(=O)NC(O)CC
InChIInChI=1S/2C6H11NO2/c2*1-3-5(8)7-6(9)4-2/h2*3,6,9H,1,4H2,2H3,(H,7,8)
InChIKeyBQKCNZLPDLZXAN-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.03
Rot. Bonds6

About N-(1-hydroxypropyl)prop-2-enamide

N-(1-hydroxypropyl)prop-2-enamide (PubChem CID 87194576) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(1-hydroxypropyl)prop-2-enamide.

Molecular Properties

Compound NameN-(1-hydroxypropyl)prop-2-enamide
PubChem CID87194576
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC NameN-(1-hydroxypropyl)prop-2-enamide
SMILESC=CC(=O)NC(O)CC.C=CC(=O)NC(O)CC
InChIInChI=1S/2C6H11NO2/c2*1-3-5(8)7-6(9)4-2/h2*3,6,9H,1,4H2,2H3,(H,7,8)
InChIKeyBQKCNZLPDLZXAN-UHFFFAOYSA-N
XLogP0.03
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-(1-hydroxypropyl)prop-2-enamide?
The IUPAC name of N-(1-hydroxypropyl)prop-2-enamide (CID 87194576) is N-(1-hydroxypropyl)prop-2-enamide.
What is the SMILES notation for N-(1-hydroxypropyl)prop-2-enamide?
The canonical SMILES for N-(1-hydroxypropyl)prop-2-enamide is C=CC(=O)NC(O)CC.C=CC(=O)NC(O)CC.
What is the InChIKey of N-(1-hydroxypropyl)prop-2-enamide?
The InChIKey is BQKCNZLPDLZXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H11NO2/c2*1-3-5(8)7-6(9)4-2/h2*3,6,9H,1,4H2,2H3,(H,7,8).
What are the key properties of N-(1-hydroxypropyl)prop-2-enamide?
N-(1-hydroxypropyl)prop-2-enamide has a molecular weight of 258.32 g/mol, XLogP of 0.03, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropyl)prop-2-enamide is sourced from PubChem (CID 87194576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).