methyl 2-oxo-1,3-diazinane-1-carboxylate

C6H10N2O3 — CID 154375641

IUPACmethyl 2-oxo-1,3-diazinane-1-carboxylate
SMILESCOC(=O)N1CCCNC1=O
InChIInChI=1S/C6H10N2O3/c1-11-6(10)8-4-2-3-7-5(8)9/h2-4H2,1H3,(H,7,9)
InChIKeyIEGPPPRGTQMTSG-UHFFFAOYSA-N
MW158.16 g/mol
LogP0.17
Rot. Bonds

About methyl 2-oxo-1,3-diazinane-1-carboxylate

methyl 2-oxo-1,3-diazinane-1-carboxylate (PubChem CID 154375641) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is methyl 2-oxo-1,3-diazinane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-1,3-diazinane-1-carboxylate
PubChem CID154375641
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Namemethyl 2-oxo-1,3-diazinane-1-carboxylate
SMILESCOC(=O)N1CCCNC1=O
InChIInChI=1S/C6H10N2O3/c1-11-6(10)8-4-2-3-7-5(8)9/h2-4H2,1H3,(H,7,9)
InChIKeyIEGPPPRGTQMTSG-UHFFFAOYSA-N
XLogP0.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-1,3-diazinane-1-carboxylate?
The IUPAC name of methyl 2-oxo-1,3-diazinane-1-carboxylate (CID 154375641) is methyl 2-oxo-1,3-diazinane-1-carboxylate.
What is the SMILES notation for methyl 2-oxo-1,3-diazinane-1-carboxylate?
The canonical SMILES for methyl 2-oxo-1,3-diazinane-1-carboxylate is COC(=O)N1CCCNC1=O.
What is the InChIKey of methyl 2-oxo-1,3-diazinane-1-carboxylate?
The InChIKey is IEGPPPRGTQMTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-11-6(10)8-4-2-3-7-5(8)9/h2-4H2,1H3,(H,7,9).
What are the key properties of methyl 2-oxo-1,3-diazinane-1-carboxylate?
methyl 2-oxo-1,3-diazinane-1-carboxylate has a molecular weight of 158.16 g/mol, XLogP of 0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-1,3-diazinane-1-carboxylate is sourced from PubChem (CID 154375641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).