3-prop-2-enoyloxypropylcarbamic acid

C7H11NO4 — CID 19422464

IUPAC3-prop-2-enoyloxypropylcarbamic acid
SMILESC=CC(=O)OCCCNC(=O)O
InChIInChI=1S/C7H11NO4/c1-2-6(9)12-5-3-4-8-7(10)11/h2,8H,1,3-5H2,(H,10,11)
InChIKeyFTXFFAYSIOYZEZ-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.37
Rot. Bonds5

About 3-prop-2-enoyloxypropylcarbamic acid

3-prop-2-enoyloxypropylcarbamic acid (PubChem CID 19422464) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 3-prop-2-enoyloxypropylcarbamic acid.

Molecular Properties

Compound Name3-prop-2-enoyloxypropylcarbamic acid
PubChem CID19422464
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name3-prop-2-enoyloxypropylcarbamic acid
SMILESC=CC(=O)OCCCNC(=O)O
InChIInChI=1S/C7H11NO4/c1-2-6(9)12-5-3-4-8-7(10)11/h2,8H,1,3-5H2,(H,10,11)
InChIKeyFTXFFAYSIOYZEZ-UHFFFAOYSA-N
XLogP0.37
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoyloxypropylcarbamic acid?
The IUPAC name of 3-prop-2-enoyloxypropylcarbamic acid (CID 19422464) is 3-prop-2-enoyloxypropylcarbamic acid.
What is the SMILES notation for 3-prop-2-enoyloxypropylcarbamic acid?
The canonical SMILES for 3-prop-2-enoyloxypropylcarbamic acid is C=CC(=O)OCCCNC(=O)O.
What is the InChIKey of 3-prop-2-enoyloxypropylcarbamic acid?
The InChIKey is FTXFFAYSIOYZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-2-6(9)12-5-3-4-8-7(10)11/h2,8H,1,3-5H2,(H,10,11).
What are the key properties of 3-prop-2-enoyloxypropylcarbamic acid?
3-prop-2-enoyloxypropylcarbamic acid has a molecular weight of 173.17 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoyloxypropylcarbamic acid is sourced from PubChem (CID 19422464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).