1,3-dioxol-2-yl N-methylcarbamate

C5H7NO4 — CID 175330236

IUPAC1,3-dioxol-2-yl N-methylcarbamate
SMILESCNC(=O)OC1OC=CO1
InChIInChI=1S/C5H7NO4/c1-6-4(7)10-5-8-2-3-9-5/h2-3,5H,1H3,(H,6,7)
InChIKeyQPZGYPRMFIYDBK-UHFFFAOYSA-N
MW145.11 g/mol
LogP0.14
Rot. Bonds1

About 1,3-dioxol-2-yl N-methylcarbamate

1,3-dioxol-2-yl N-methylcarbamate (PubChem CID 175330236) has the molecular formula C5H7NO4 and a molecular weight of 145.11 g/mol. Its IUPAC name is 1,3-dioxol-2-yl N-methylcarbamate.

Molecular Properties

Compound Name1,3-dioxol-2-yl N-methylcarbamate
PubChem CID175330236
Molecular FormulaC5H7NO4
Molecular Weight145.11 g/mol
Exact Mass145.04
IUPAC Name1,3-dioxol-2-yl N-methylcarbamate
SMILESCNC(=O)OC1OC=CO1
InChIInChI=1S/C5H7NO4/c1-6-4(7)10-5-8-2-3-9-5/h2-3,5H,1H3,(H,6,7)
InChIKeyQPZGYPRMFIYDBK-UHFFFAOYSA-N
XLogP0.14
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dioxol-2-yl N-methylcarbamate?
The IUPAC name of 1,3-dioxol-2-yl N-methylcarbamate (CID 175330236) is 1,3-dioxol-2-yl N-methylcarbamate.
What is the SMILES notation for 1,3-dioxol-2-yl N-methylcarbamate?
The canonical SMILES for 1,3-dioxol-2-yl N-methylcarbamate is CNC(=O)OC1OC=CO1.
What is the InChIKey of 1,3-dioxol-2-yl N-methylcarbamate?
The InChIKey is QPZGYPRMFIYDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO4/c1-6-4(7)10-5-8-2-3-9-5/h2-3,5H,1H3,(H,6,7).
What are the key properties of 1,3-dioxol-2-yl N-methylcarbamate?
1,3-dioxol-2-yl N-methylcarbamate has a molecular weight of 145.11 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxol-2-yl N-methylcarbamate is sourced from PubChem (CID 175330236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).