methyl N-[2-(cyclobutadienyl)phenyl]carbamate

C12H11NO2 — CID 145393747

IUPACmethyl N-[2-(cyclobutadienyl)phenyl]carbamate
SMILESCOC(=O)Nc1ccccc1C1=CC=C1
InChIInChI=1S/C12H11NO2/c1-15-12(14)13-11-8-3-2-7-10(11)9-5-4-6-9/h2-8H,1H3,(H,13,14)
InChIKeyCOFMEJBFFZDQEV-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.82
Rot. Bonds2

About methyl N-[2-(cyclobutadienyl)phenyl]carbamate

methyl N-[2-(cyclobutadienyl)phenyl]carbamate (PubChem CID 145393747) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is methyl N-[2-(cyclobutadienyl)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(cyclobutadienyl)phenyl]carbamate
PubChem CID145393747
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Namemethyl N-[2-(cyclobutadienyl)phenyl]carbamate
SMILESCOC(=O)Nc1ccccc1C1=CC=C1
InChIInChI=1S/C12H11NO2/c1-15-12(14)13-11-8-3-2-7-10(11)9-5-4-6-9/h2-8H,1H3,(H,13,14)
InChIKeyCOFMEJBFFZDQEV-UHFFFAOYSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methyl N-[2-(cyclobutadienyl)phenyl]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

methyl N-(2-hydroxyphenyl)carbamate
CID 819280
methyl N-(9,10-dioxoanthracen-1-yl)carbamate
CID 4161864
methyl N-[5-(methoxycarbonylamino)naphthalen-1-yl]carbamate
CID 4594667
methyl N-[2-(4-bromo-2-methylphenyl)phenyl]carbamate
CID 67752029
methyl N-(2-nitrosophenyl)carbamate
CID 45122951
methyl N-(2-methylsulfonylphenyl)carbamate
CID 117062831
tert-butyl N-[2-(2-methylphenyl)phenyl]carbamate
CID 22288328
methyl N-[2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]carbamate
CID 20667567
methyl N-(2-propoxyphenyl)carbamate
CID 19872099
methyl N-[2,4-dianilino-5-(methoxycarbonylamino)phenyl]carbamate
CID 23026427
tert-butyl N-(2-pyrazin-2-ylphenyl)carbamate
CID 22493234
methyl N-[2-[[(2R)-2-methylbut-3-enoyl]amino]phenyl]carbamate
CID 175694319

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(cyclobutadienyl)phenyl]carbamate?
The IUPAC name of methyl N-[2-(cyclobutadienyl)phenyl]carbamate (CID 145393747) is methyl N-[2-(cyclobutadienyl)phenyl]carbamate.
What is the SMILES notation for methyl N-[2-(cyclobutadienyl)phenyl]carbamate?
The canonical SMILES for methyl N-[2-(cyclobutadienyl)phenyl]carbamate is COC(=O)Nc1ccccc1C1=CC=C1.
What is the InChIKey of methyl N-[2-(cyclobutadienyl)phenyl]carbamate?
The InChIKey is COFMEJBFFZDQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-15-12(14)13-11-8-3-2-7-10(11)9-5-4-6-9/h2-8H,1H3,(H,13,14).
What are the key properties of methyl N-[2-(cyclobutadienyl)phenyl]carbamate?
methyl N-[2-(cyclobutadienyl)phenyl]carbamate has a molecular weight of 201.22 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(cyclobutadienyl)phenyl]carbamate is sourced from PubChem (CID 145393747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).