N-(2-methyl-4-nitrophenyl)pyrrol-1-amine

C11H11N3O2 — CID 79106363

IUPACN-(2-methyl-4-nitrophenyl)pyrrol-1-amine
SMILESCc1cc([N+](=O)[O-])ccc1Nn1cccc1
InChIInChI=1S/C11H11N3O2/c1-9-8-10(14(15)16)4-5-11(9)12-13-6-2-3-7-13/h2-8,12H,1H3
InChIKeyFJVPZOMUAWICCG-UHFFFAOYSA-N
MW217.23 g/mol
LogP2.58
Rot. Bonds3

About N-(2-methyl-4-nitrophenyl)pyrrol-1-amine

N-(2-methyl-4-nitrophenyl)pyrrol-1-amine (PubChem CID 79106363) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is N-(2-methyl-4-nitrophenyl)pyrrol-1-amine.

Molecular Properties

Compound NameN-(2-methyl-4-nitrophenyl)pyrrol-1-amine
PubChem CID79106363
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC NameN-(2-methyl-4-nitrophenyl)pyrrol-1-amine
SMILESCc1cc([N+](=O)[O-])ccc1Nn1cccc1
InChIInChI=1S/C11H11N3O2/c1-9-8-10(14(15)16)4-5-11(9)12-13-6-2-3-7-13/h2-8,12H,1H3
InChIKeyFJVPZOMUAWICCG-UHFFFAOYSA-N
XLogP2.58
TPSA60.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-chloro-2-methyl-4-nitroaniline
CID 134879883
1-(2-methyl-4-nitrophenyl)-2-(4-nitrophenyl)hydrazine
CID 57020323
N-benzyl-2-methyl-4-nitroaniline
CID 2851650
(2-methyl-4-nitrophenyl)thiourea
CID 3723044
1,2-dimethyl-4-nitrobenzene;ethane
CID 90784792
3-amino-N-(2-methyl-4-nitrophenyl)propanamide
CID 43424697
N-cyclopentyl-2-methyl-4-nitroaniline
CID 3683454
1-chloro-2-methyl-4-nitrobenzene;sulfane
CID 162192887
N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 43699406
N-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide
CID 2792229
2-methyl-N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 45097641
N-(3-cyclopropylcyclohexyl)-2-methyl-4-nitroaniline
CID 64594683

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-nitrophenyl)pyrrol-1-amine?
The IUPAC name of N-(2-methyl-4-nitrophenyl)pyrrol-1-amine (CID 79106363) is N-(2-methyl-4-nitrophenyl)pyrrol-1-amine.
What is the SMILES notation for N-(2-methyl-4-nitrophenyl)pyrrol-1-amine?
The canonical SMILES for N-(2-methyl-4-nitrophenyl)pyrrol-1-amine is Cc1cc([N+](=O)[O-])ccc1Nn1cccc1.
What is the InChIKey of N-(2-methyl-4-nitrophenyl)pyrrol-1-amine?
The InChIKey is FJVPZOMUAWICCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-9-8-10(14(15)16)4-5-11(9)12-13-6-2-3-7-13/h2-8,12H,1H3.
What are the key properties of N-(2-methyl-4-nitrophenyl)pyrrol-1-amine?
N-(2-methyl-4-nitrophenyl)pyrrol-1-amine has a molecular weight of 217.23 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-nitrophenyl)pyrrol-1-amine is sourced from PubChem (CID 79106363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).