benzyl N-(C-methoxycarbonimidoyl)carbamate

C10H12N2O3 — CID 139267837

IUPACbenzyl N-(C-methoxycarbonimidoyl)carbamate
SMILES[H]/N=C(/NC(=O)OCc1ccccc1)OC
InChIInChI=1S/C10H12N2O3/c1-14-9(11)12-10(13)15-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,11,12,13)
InChIKeyMLYVUDZUFYUWHE-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.49
Rot. Bonds2

About benzyl N-(C-methoxycarbonimidoyl)carbamate

benzyl N-(C-methoxycarbonimidoyl)carbamate (PubChem CID 139267837) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is benzyl N-(C-methoxycarbonimidoyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(C-methoxycarbonimidoyl)carbamate
PubChem CID139267837
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Namebenzyl N-(C-methoxycarbonimidoyl)carbamate
SMILES[H]/N=C(/NC(=O)OCc1ccccc1)OC
InChIInChI=1S/C10H12N2O3/c1-14-9(11)12-10(13)15-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,11,12,13)
InChIKeyMLYVUDZUFYUWHE-UHFFFAOYSA-N
XLogP1.49
TPSA71.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze benzyl N-(C-methoxycarbonimidoyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]carbamate
CID 173007580
benzyl N-(methoxycarbonylamino)carbamate
CID 71669783
methoxy(phenylmethoxy)methanimine
CID 20535619
2-(phenylmethoxycarbonylamino)prop-2-enoic acid
CID 4674477
benzyl N-carbamothioylcarbamate
CID 23366039
benzyl N-(2-methylprop-2-enoyl)carbamate
CID 11321946
benzyl N-(2-aminopropanoyl)carbamate
CID 54205140
benzyl N-[(E)-4-oxopent-2-en-3-yl]carbamate
CID 58214768
benzyl N-[(Z)-1-amino-1-oxobut-2-en-2-yl]carbamate
CID 15663847
benzyl N-(3-aminopropanoyl)carbamate
CID 54479844
benzyl N-[3-(methylamino)-3-oxoprop-1-en-2-yl]carbamate
CID 131853224
benzyl N-[(Z)-1-phenylprop-1-enyl]carbamate
CID 44603837

Frequently Asked Questions

What is the IUPAC name of benzyl N-(C-methoxycarbonimidoyl)carbamate?
The IUPAC name of benzyl N-(C-methoxycarbonimidoyl)carbamate (CID 139267837) is benzyl N-(C-methoxycarbonimidoyl)carbamate.
What is the SMILES notation for benzyl N-(C-methoxycarbonimidoyl)carbamate?
The canonical SMILES for benzyl N-(C-methoxycarbonimidoyl)carbamate is [H]/N=C(/NC(=O)OCc1ccccc1)OC.
What is the InChIKey of benzyl N-(C-methoxycarbonimidoyl)carbamate?
The InChIKey is MLYVUDZUFYUWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-14-9(11)12-10(13)15-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,11,12,13).
What are the key properties of benzyl N-(C-methoxycarbonimidoyl)carbamate?
benzyl N-(C-methoxycarbonimidoyl)carbamate has a molecular weight of 208.22 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(C-methoxycarbonimidoyl)carbamate is sourced from PubChem (CID 139267837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).