2-methylpropyl N-ethoxycarbonyliminocarbamate

C8H14N2O4 — CID 140646450

IUPAC2-methylpropyl N-ethoxycarbonyliminocarbamate
SMILESCCOC(=O)N=NC(=O)OCC(C)C
InChIInChI=1S/C8H14N2O4/c1-4-13-7(11)9-10-8(12)14-5-6(2)3/h6H,4-5H2,1-3H3
InChIKeyVRHBYQVPJPMTHK-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.39
Rot. Bonds3

About 2-methylpropyl N-ethoxycarbonyliminocarbamate

2-methylpropyl N-ethoxycarbonyliminocarbamate (PubChem CID 140646450) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-methylpropyl N-ethoxycarbonyliminocarbamate.

Molecular Properties

Compound Name2-methylpropyl N-ethoxycarbonyliminocarbamate
PubChem CID140646450
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name2-methylpropyl N-ethoxycarbonyliminocarbamate
SMILESCCOC(=O)N=NC(=O)OCC(C)C
InChIInChI=1S/C8H14N2O4/c1-4-13-7(11)9-10-8(12)14-5-6(2)3/h6H,4-5H2,1-3H3
InChIKeyVRHBYQVPJPMTHK-UHFFFAOYSA-N
XLogP2.39
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl (NE)-N-ethoxycarbonyliminocarbamate
CID 5462977
potassium;ethyl N-ethoxycarbonyliminocarbamate;bromide
CID 173295578
ethyl N-carbamoyliminocarbamate
CID 158260116
2-methylpropyl N-(diaminomethylidene)carbamate
CID 87606933
hydroxy 2-methylpropyl carbonate
CID 140981524
hexyl N-ethoxycarbonyliminocarbamate
CID 140646328
diethyl 2,3-bis(2-methylpropoxy)butanedioate
CID 139989441
2-methylpropyl propan-2-yloxy carbonate
CID 150489292
3-O-ethyl 2-O-(2-methylpropyl) (2R,3S)-oxirane-2,3-dicarboxylate
CID 10242413
2-hydroxypropyl 2-methylpropyl carbonate
CID 118462000
2-methylpropyl N-ethoxycarbamate
CID 115575426
2-methylpropyl 2-ethoxyacetate
CID 45108349

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-ethoxycarbonyliminocarbamate?
The IUPAC name of 2-methylpropyl N-ethoxycarbonyliminocarbamate (CID 140646450) is 2-methylpropyl N-ethoxycarbonyliminocarbamate.
What is the SMILES notation for 2-methylpropyl N-ethoxycarbonyliminocarbamate?
The canonical SMILES for 2-methylpropyl N-ethoxycarbonyliminocarbamate is CCOC(=O)N=NC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N-ethoxycarbonyliminocarbamate?
The InChIKey is VRHBYQVPJPMTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-4-13-7(11)9-10-8(12)14-5-6(2)3/h6H,4-5H2,1-3H3.
What are the key properties of 2-methylpropyl N-ethoxycarbonyliminocarbamate?
2-methylpropyl N-ethoxycarbonyliminocarbamate has a molecular weight of 202.21 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-ethoxycarbonyliminocarbamate is sourced from PubChem (CID 140646450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).