N-anilinocarbamate

C7H7N2O2- — CID 23000131

IUPACN-anilinocarbamate
SMILESO=C([O-])NNc1ccccc1
InChIInChI=1S/C7H8N2O2/c10-7(11)9-8-6-4-2-1-3-5-6/h1-5,8-9H,(H,10,11)/p-1
InChIKeyPOJYSQCMDUIYSB-UHFFFAOYSA-M
MW151.14 g/mol
LogP-0.05
Rot. Bonds2

About N-anilinocarbamate

N-anilinocarbamate (PubChem CID 23000131) has the molecular formula C7H7N2O2- and a molecular weight of 151.14 g/mol. Its IUPAC name is N-anilinocarbamate.

Molecular Properties

Compound NameN-anilinocarbamate
PubChem CID23000131
Molecular FormulaC7H7N2O2-
Molecular Weight151.14 g/mol
Exact Mass151.05
IUPAC NameN-anilinocarbamate
SMILESO=C([O-])NNc1ccccc1
InChIInChI=1S/C7H8N2O2/c10-7(11)9-8-6-4-2-1-3-5-6/h1-5,8-9H,(H,10,11)/p-1
InChIKeyPOJYSQCMDUIYSB-UHFFFAOYSA-M
XLogP-0.05
TPSA64.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-anilinocarbamate?
The IUPAC name of N-anilinocarbamate (CID 23000131) is N-anilinocarbamate.
What is the SMILES notation for N-anilinocarbamate?
The canonical SMILES for N-anilinocarbamate is O=C([O-])NNc1ccccc1.
What is the InChIKey of N-anilinocarbamate?
The InChIKey is POJYSQCMDUIYSB-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8N2O2/c10-7(11)9-8-6-4-2-1-3-5-6/h1-5,8-9H,(H,10,11)/p-1.
What are the key properties of N-anilinocarbamate?
N-anilinocarbamate has a molecular weight of 151.14 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-anilinocarbamate is sourced from PubChem (CID 23000131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).