3-hydroxypropyl(prop-2-enyl)carbamic acid

C7H13NO3 — CID 90333093

IUPAC3-hydroxypropyl(prop-2-enyl)carbamic acid
SMILESC=CCN(CCCO)C(=O)O
InChIInChI=1S/C7H13NO3/c1-2-4-8(7(10)11)5-3-6-9/h2,9H,1,3-6H2,(H,10,11)
InChIKeyODIUBWZHQQSBHL-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.53
Rot. Bonds5

About 3-hydroxypropyl(prop-2-enyl)carbamic acid

3-hydroxypropyl(prop-2-enyl)carbamic acid (PubChem CID 90333093) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 3-hydroxypropyl(prop-2-enyl)carbamic acid.

Molecular Properties

Compound Name3-hydroxypropyl(prop-2-enyl)carbamic acid
PubChem CID90333093
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name3-hydroxypropyl(prop-2-enyl)carbamic acid
SMILESC=CCN(CCCO)C(=O)O
InChIInChI=1S/C7H13NO3/c1-2-4-8(7(10)11)5-3-6-9/h2,9H,1,3-6H2,(H,10,11)
InChIKeyODIUBWZHQQSBHL-UHFFFAOYSA-N
XLogP0.53
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropyl(prop-2-enyl)carbamic acid?
The IUPAC name of 3-hydroxypropyl(prop-2-enyl)carbamic acid (CID 90333093) is 3-hydroxypropyl(prop-2-enyl)carbamic acid.
What is the SMILES notation for 3-hydroxypropyl(prop-2-enyl)carbamic acid?
The canonical SMILES for 3-hydroxypropyl(prop-2-enyl)carbamic acid is C=CCN(CCCO)C(=O)O.
What is the InChIKey of 3-hydroxypropyl(prop-2-enyl)carbamic acid?
The InChIKey is ODIUBWZHQQSBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-2-4-8(7(10)11)5-3-6-9/h2,9H,1,3-6H2,(H,10,11).
What are the key properties of 3-hydroxypropyl(prop-2-enyl)carbamic acid?
3-hydroxypropyl(prop-2-enyl)carbamic acid has a molecular weight of 159.19 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropyl(prop-2-enyl)carbamic acid is sourced from PubChem (CID 90333093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).