amino carbamate;toluene

C8H12N2O2 — CID 70556026

IUPACamino carbamate;toluene
SMILESCc1ccccc1.NOC(N)=O
InChIInChI=1S/C7H8.CH4N2O2/c1-7-5-3-2-4-6-7;2-1(4)5-3/h2-6H,1H3;3H2,(H2,2,4)
InChIKeyDIHUSWWBYAVXDR-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.95
Rot. Bonds

About amino carbamate;toluene

amino carbamate;toluene (PubChem CID 70556026) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is amino carbamate;toluene.

Molecular Properties

Compound Nameamino carbamate;toluene
PubChem CID70556026
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Nameamino carbamate;toluene
SMILESCc1ccccc1.NOC(N)=O
InChIInChI=1S/C7H8.CH4N2O2/c1-7-5-3-2-4-6-7;2-1(4)5-3/h2-6H,1H3;3H2,(H2,2,4)
InChIKeyDIHUSWWBYAVXDR-UHFFFAOYSA-N
XLogP0.95
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze amino carbamate;toluene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of amino carbamate;toluene?
The IUPAC name of amino carbamate;toluene (CID 70556026) is amino carbamate;toluene.
What is the SMILES notation for amino carbamate;toluene?
The canonical SMILES for amino carbamate;toluene is Cc1ccccc1.NOC(N)=O.
What is the InChIKey of amino carbamate;toluene?
The InChIKey is DIHUSWWBYAVXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.CH4N2O2/c1-7-5-3-2-4-6-7;2-1(4)5-3/h2-6H,1H3;3H2,(H2,2,4).
What are the key properties of amino carbamate;toluene?
amino carbamate;toluene has a molecular weight of 168.20 g/mol, XLogP of 0.95, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino carbamate;toluene is sourced from PubChem (CID 70556026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).