3-hydroxypropyl prop-2-enimidate

C6H11NO2 — CID 155052659

IUPAC3-hydroxypropyl prop-2-enimidate
SMILES[H]/N=C(\C=C)OCCCO
InChIInChI=1S/C6H11NO2/c1-2-6(7)9-5-3-4-8/h2,7-8H,1,3-5H2/b7-6+
InChIKeyWSHPHTBKBYLXJG-VOTSOKGWSA-N
MW129.16 g/mol
LogP0.55
Rot. Bonds4

About 3-hydroxypropyl prop-2-enimidate

3-hydroxypropyl prop-2-enimidate (PubChem CID 155052659) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 3-hydroxypropyl prop-2-enimidate.

Molecular Properties

Compound Name3-hydroxypropyl prop-2-enimidate
PubChem CID155052659
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name3-hydroxypropyl prop-2-enimidate
SMILES[H]/N=C(\C=C)OCCCO
InChIInChI=1S/C6H11NO2/c1-2-6(7)9-5-3-4-8/h2,7-8H,1,3-5H2/b7-6+
InChIKeyWSHPHTBKBYLXJG-VOTSOKGWSA-N
XLogP0.55
TPSA53.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropyl prop-2-enimidate?
The IUPAC name of 3-hydroxypropyl prop-2-enimidate (CID 155052659) is 3-hydroxypropyl prop-2-enimidate.
What is the SMILES notation for 3-hydroxypropyl prop-2-enimidate?
The canonical SMILES for 3-hydroxypropyl prop-2-enimidate is [H]/N=C(\C=C)OCCCO.
What is the InChIKey of 3-hydroxypropyl prop-2-enimidate?
The InChIKey is WSHPHTBKBYLXJG-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H11NO2/c1-2-6(7)9-5-3-4-8/h2,7-8H,1,3-5H2/b7-6+.
What are the key properties of 3-hydroxypropyl prop-2-enimidate?
3-hydroxypropyl prop-2-enimidate has a molecular weight of 129.16 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropyl prop-2-enimidate is sourced from PubChem (CID 155052659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).