(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbamate

C6H7NO5 — CID 141433728

IUPAC(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbamate
SMILESCc1oc(=O)oc1COC(N)=O
InChIInChI=1S/C6H7NO5/c1-3-4(2-10-5(7)8)12-6(9)11-3/h2H2,1H3,(H2,7,8)
InChIKeyWWRLNGUNZONUSC-UHFFFAOYSA-N
MW173.12 g/mol
LogP0.14
Rot. Bonds2

About (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbamate

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbamate (PubChem CID 141433728) has the molecular formula C6H7NO5 and a molecular weight of 173.12 g/mol. Its IUPAC name is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbamate.

Molecular Properties

Compound Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbamate
PubChem CID141433728
Molecular FormulaC6H7NO5
Molecular Weight173.12 g/mol
Exact Mass173.03
IUPAC Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbamate
SMILESCc1oc(=O)oc1COC(N)=O
InChIInChI=1S/C6H7NO5/c1-3-4(2-10-5(7)8)12-6(9)11-3/h2H2,1H3,(H2,7,8)
InChIKeyWWRLNGUNZONUSC-UHFFFAOYSA-N
XLogP0.14
TPSA95.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.12
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbamate?
The IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbamate (CID 141433728) is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbamate.
What is the SMILES notation for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbamate?
The canonical SMILES for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbamate is Cc1oc(=O)oc1COC(N)=O.
What is the InChIKey of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbamate?
The InChIKey is WWRLNGUNZONUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO5/c1-3-4(2-10-5(7)8)12-6(9)11-3/h2H2,1H3,(H2,7,8).
What are the key properties of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbamate?
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbamate has a molecular weight of 173.12 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbamate is sourced from PubChem (CID 141433728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).