2-hydroxyethyl(prop-2-enyl)carbamic acid

C6H11NO3 — CID 57175636

IUPAC2-hydroxyethyl(prop-2-enyl)carbamic acid
SMILESC=CCN(CCO)C(=O)O
InChIInChI=1S/C6H11NO3/c1-2-3-7(4-5-8)6(9)10/h2,8H,1,3-5H2,(H,9,10)
InChIKeyVNYUGTMQXPWXMI-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.14
Rot. Bonds4

About 2-hydroxyethyl(prop-2-enyl)carbamic acid

2-hydroxyethyl(prop-2-enyl)carbamic acid (PubChem CID 57175636) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-hydroxyethyl(prop-2-enyl)carbamic acid.

Molecular Properties

Compound Name2-hydroxyethyl(prop-2-enyl)carbamic acid
PubChem CID57175636
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name2-hydroxyethyl(prop-2-enyl)carbamic acid
SMILESC=CCN(CCO)C(=O)O
InChIInChI=1S/C6H11NO3/c1-2-3-7(4-5-8)6(9)10/h2,8H,1,3-5H2,(H,9,10)
InChIKeyVNYUGTMQXPWXMI-UHFFFAOYSA-N
XLogP0.14
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.14
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 2-hydroxyethyl(prop-2-enyl)carbamic acid?
The IUPAC name of 2-hydroxyethyl(prop-2-enyl)carbamic acid (CID 57175636) is 2-hydroxyethyl(prop-2-enyl)carbamic acid.
What is the SMILES notation for 2-hydroxyethyl(prop-2-enyl)carbamic acid?
The canonical SMILES for 2-hydroxyethyl(prop-2-enyl)carbamic acid is C=CCN(CCO)C(=O)O.
What is the InChIKey of 2-hydroxyethyl(prop-2-enyl)carbamic acid?
The InChIKey is VNYUGTMQXPWXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-2-3-7(4-5-8)6(9)10/h2,8H,1,3-5H2,(H,9,10).
What are the key properties of 2-hydroxyethyl(prop-2-enyl)carbamic acid?
2-hydroxyethyl(prop-2-enyl)carbamic acid has a molecular weight of 145.16 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(prop-2-enyl)carbamic acid is sourced from PubChem (CID 57175636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).