2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine

C10H11N3 — CID 115124277

IUPAC2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine
SMILESNc1ccccc1Nc1cc[nH]c1
InChIInChI=1S/C10H11N3/c11-9-3-1-2-4-10(9)13-8-5-6-12-7-8/h1-7,12-13H,11H2
InChIKeyFKQLDCBTPJVEHH-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.34
Rot. Bonds2

About 2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine

2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine (PubChem CID 115124277) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine
PubChem CID115124277
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine
SMILESNc1ccccc1Nc1cc[nH]c1
InChIInChI=1S/C10H11N3/c11-9-3-1-2-4-10(9)13-8-5-6-12-7-8/h1-7,12-13H,11H2
InChIKeyFKQLDCBTPJVEHH-UHFFFAOYSA-N
XLogP2.34
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine?
The IUPAC name of 2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine (CID 115124277) is 2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine is Nc1ccccc1Nc1cc[nH]c1.
What is the InChIKey of 2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine?
The InChIKey is FKQLDCBTPJVEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c11-9-3-1-2-4-10(9)13-8-5-6-12-7-8/h1-7,12-13H,11H2.
What are the key properties of 2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine?
2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine has a molecular weight of 173.22 g/mol, XLogP of 2.34, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine is sourced from PubChem (CID 115124277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).