2-(hydroxymethyl)prop-2-enyl-methylcarbamic acid

C6H11NO3 — CID 146625474

IUPAC2-(hydroxymethyl)prop-2-enyl-methylcarbamic acid
SMILESC=C(CO)CN(C)C(=O)O
InChIInChI=1S/C6H11NO3/c1-5(4-8)3-7(2)6(9)10/h8H,1,3-4H2,2H3,(H,9,10)
InChIKeyCMBRLSMBCNXTGJ-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.14
Rot. Bonds3

About 2-(hydroxymethyl)prop-2-enyl-methylcarbamic acid

2-(hydroxymethyl)prop-2-enyl-methylcarbamic acid (PubChem CID 146625474) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-(hydroxymethyl)prop-2-enyl-methylcarbamic acid.

Molecular Properties

Compound Name2-(hydroxymethyl)prop-2-enyl-methylcarbamic acid
PubChem CID146625474
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name2-(hydroxymethyl)prop-2-enyl-methylcarbamic acid
SMILESC=C(CO)CN(C)C(=O)O
InChIInChI=1S/C6H11NO3/c1-5(4-8)3-7(2)6(9)10/h8H,1,3-4H2,2H3,(H,9,10)
InChIKeyCMBRLSMBCNXTGJ-UHFFFAOYSA-N
XLogP0.14
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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-(hydroxymethyl)prop-2-enyl-methylcarbamic acid?
The IUPAC name of 2-(hydroxymethyl)prop-2-enyl-methylcarbamic acid (CID 146625474) is 2-(hydroxymethyl)prop-2-enyl-methylcarbamic acid.
What is the SMILES notation for 2-(hydroxymethyl)prop-2-enyl-methylcarbamic acid?
The canonical SMILES for 2-(hydroxymethyl)prop-2-enyl-methylcarbamic acid is C=C(CO)CN(C)C(=O)O.
What is the InChIKey of 2-(hydroxymethyl)prop-2-enyl-methylcarbamic acid?
The InChIKey is CMBRLSMBCNXTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-5(4-8)3-7(2)6(9)10/h8H,1,3-4H2,2H3,(H,9,10).
What are the key properties of 2-(hydroxymethyl)prop-2-enyl-methylcarbamic acid?
2-(hydroxymethyl)prop-2-enyl-methylcarbamic acid has a molecular weight of 145.16 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)prop-2-enyl-methylcarbamic acid is sourced from PubChem (CID 146625474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).