methyl N-(N-ethoxy-C-ethylcarbonimidoyl)carbamate

C7H14N2O3 — CID 135514855

IUPACmethyl N-(N-ethoxy-C-ethylcarbonimidoyl)carbamate
SMILESCCON=C(CC)NC(=O)OC
InChIInChI=1S/C7H14N2O3/c1-4-6(9-12-5-2)8-7(10)11-3/h4-5H2,1-3H3,(H,8,9,10)
InChIKeyBFPYGRSMHISTQB-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.10
Rot. Bonds3

About methyl N-(N-ethoxy-C-ethylcarbonimidoyl)carbamate

methyl N-(N-ethoxy-C-ethylcarbonimidoyl)carbamate (PubChem CID 135514855) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is methyl N-(N-ethoxy-C-ethylcarbonimidoyl)carbamate.

Molecular Properties

Compound Namemethyl N-(N-ethoxy-C-ethylcarbonimidoyl)carbamate
PubChem CID135514855
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Namemethyl N-(N-ethoxy-C-ethylcarbonimidoyl)carbamate
SMILESCCON=C(CC)NC(=O)OC
InChIInChI=1S/C7H14N2O3/c1-4-6(9-12-5-2)8-7(10)11-3/h4-5H2,1-3H3,(H,8,9,10)
InChIKeyBFPYGRSMHISTQB-UHFFFAOYSA-N
XLogP1.10
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-(N-ethoxy-C-ethylcarbonimidoyl)carbamate?
The IUPAC name of methyl N-(N-ethoxy-C-ethylcarbonimidoyl)carbamate (CID 135514855) is methyl N-(N-ethoxy-C-ethylcarbonimidoyl)carbamate.
What is the SMILES notation for methyl N-(N-ethoxy-C-ethylcarbonimidoyl)carbamate?
The canonical SMILES for methyl N-(N-ethoxy-C-ethylcarbonimidoyl)carbamate is CCON=C(CC)NC(=O)OC.
What is the InChIKey of methyl N-(N-ethoxy-C-ethylcarbonimidoyl)carbamate?
The InChIKey is BFPYGRSMHISTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-4-6(9-12-5-2)8-7(10)11-3/h4-5H2,1-3H3,(H,8,9,10).
What are the key properties of methyl N-(N-ethoxy-C-ethylcarbonimidoyl)carbamate?
methyl N-(N-ethoxy-C-ethylcarbonimidoyl)carbamate has a molecular weight of 174.20 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(N-ethoxy-C-ethylcarbonimidoyl)carbamate is sourced from PubChem (CID 135514855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).