2-(hydroxymethyl)prop-2-enyl N-methylcarbamate

C6H11NO3 — CID 146625476

IUPAC2-(hydroxymethyl)prop-2-enyl N-methylcarbamate
SMILESC=C(CO)COC(=O)NC
InChIInChI=1S/C6H11NO3/c1-5(3-8)4-10-6(9)7-2/h8H,1,3-4H2,2H3,(H,7,9)
InChIKeyJRLURJQYFJGXNP-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.11
Rot. Bonds3

About 2-(hydroxymethyl)prop-2-enyl N-methylcarbamate

2-(hydroxymethyl)prop-2-enyl N-methylcarbamate (PubChem CID 146625476) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-(hydroxymethyl)prop-2-enyl N-methylcarbamate.

Molecular Properties

Compound Name2-(hydroxymethyl)prop-2-enyl N-methylcarbamate
PubChem CID146625476
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name2-(hydroxymethyl)prop-2-enyl N-methylcarbamate
SMILESC=C(CO)COC(=O)NC
InChIInChI=1S/C6H11NO3/c1-5(3-8)4-10-6(9)7-2/h8H,1,3-4H2,2H3,(H,7,9)
InChIKeyJRLURJQYFJGXNP-UHFFFAOYSA-N
XLogP-0.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(hydroxymethyl)-2-methylidenebut-3-enyl] N-methylcarbamate
CID 58805128
2-methylprop-2-enyl N-methylcarbamate
CID 60126034

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)prop-2-enyl N-methylcarbamate?
The IUPAC name of 2-(hydroxymethyl)prop-2-enyl N-methylcarbamate (CID 146625476) is 2-(hydroxymethyl)prop-2-enyl N-methylcarbamate.
What is the SMILES notation for 2-(hydroxymethyl)prop-2-enyl N-methylcarbamate?
The canonical SMILES for 2-(hydroxymethyl)prop-2-enyl N-methylcarbamate is C=C(CO)COC(=O)NC.
What is the InChIKey of 2-(hydroxymethyl)prop-2-enyl N-methylcarbamate?
The InChIKey is JRLURJQYFJGXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-5(3-8)4-10-6(9)7-2/h8H,1,3-4H2,2H3,(H,7,9).
What are the key properties of 2-(hydroxymethyl)prop-2-enyl N-methylcarbamate?
2-(hydroxymethyl)prop-2-enyl N-methylcarbamate has a molecular weight of 145.16 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)prop-2-enyl N-methylcarbamate is sourced from PubChem (CID 146625476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).