ethyl carbamate;4-methyl-1,3-dioxolan-2-one

C7H13NO5 — CID 174599772

IUPACethyl carbamate;4-methyl-1,3-dioxolan-2-one
SMILESCC1COC(=O)O1.CCOC(N)=O
InChIInChI=1S/C4H6O3.C3H7NO2/c1-3-2-6-4(5)7-3;1-2-6-3(4)5/h3H,2H2,1H3;2H2,1H3,(H2,4,5)
InChIKeyOCEGNLQUTCKRAX-UHFFFAOYSA-N
MW191.18 g/mol
LogP0.64
Rot. Bonds1

About ethyl carbamate;4-methyl-1,3-dioxolan-2-one

ethyl carbamate;4-methyl-1,3-dioxolan-2-one (PubChem CID 174599772) has the molecular formula C7H13NO5 and a molecular weight of 191.18 g/mol. Its IUPAC name is ethyl carbamate;4-methyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Nameethyl carbamate;4-methyl-1,3-dioxolan-2-one
PubChem CID174599772
Molecular FormulaC7H13NO5
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Nameethyl carbamate;4-methyl-1,3-dioxolan-2-one
SMILESCC1COC(=O)O1.CCOC(N)=O
InChIInChI=1S/C4H6O3.C3H7NO2/c1-3-2-6-4(5)7-3;1-2-6-3(4)5/h3H,2H2,1H3;2H2,1H3,(H2,4,5)
InChIKeyOCEGNLQUTCKRAX-UHFFFAOYSA-N
XLogP0.64
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one
CID 135304393
dimethyl carbonate;1,3-dioxolan-2-one;ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one
CID 174559201
4-methyl-1,3-dioxolan-2-one;oxalic acid
CID 159173945
2-ethoxyethanol;4-methyl-1,3-dioxolan-2-one
CID 174922759
formamide;4-methyl-1,3-dioxolan-2-one
CID 157162326
4-methyl-1,3-dioxolan-2-one;tetraethylazanium;fluoride
CID 21289642
2,2-dimethylpropanoic acid;4-methyl-1,3-dioxolan-2-one
CID 158234660
dimethyl carbonate;1,3-dioxolan-2-one;ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one;oxolan-2-one
CID 174573049
4-methyl-1,3-dioxolan-2-one;2-methylprop-2-enoic acid
CID 68522550
1,3-dioxolan-2-one;4-methyl-1,3-dioxolan-2-one;pentyl acetate
CID 175300180
1,3-dioxonan-2-one;ethyl carbamate;urea
CID 155436579
ethyl carbamate
CID 161409576

Frequently Asked Questions

What is the IUPAC name of ethyl carbamate;4-methyl-1,3-dioxolan-2-one?
The IUPAC name of ethyl carbamate;4-methyl-1,3-dioxolan-2-one (CID 174599772) is ethyl carbamate;4-methyl-1,3-dioxolan-2-one.
What is the SMILES notation for ethyl carbamate;4-methyl-1,3-dioxolan-2-one?
The canonical SMILES for ethyl carbamate;4-methyl-1,3-dioxolan-2-one is CC1COC(=O)O1.CCOC(N)=O.
What is the InChIKey of ethyl carbamate;4-methyl-1,3-dioxolan-2-one?
The InChIKey is OCEGNLQUTCKRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3.C3H7NO2/c1-3-2-6-4(5)7-3;1-2-6-3(4)5/h3H,2H2,1H3;2H2,1H3,(H2,4,5).
What are the key properties of ethyl carbamate;4-methyl-1,3-dioxolan-2-one?
ethyl carbamate;4-methyl-1,3-dioxolan-2-one has a molecular weight of 191.18 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl carbamate;4-methyl-1,3-dioxolan-2-one is sourced from PubChem (CID 174599772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).