(4-nitrophenyl)-(1H-pyrrol-3-yl)methanone

C11H8N2O3 — CID 10703913

IUPAC(4-nitrophenyl)-(1H-pyrrol-3-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)c1cc[nH]c1
InChIInChI=1S/C11H8N2O3/c14-11(9-5-6-12-7-9)8-1-3-10(4-2-8)13(15)16/h1-7,12H
InChIKeyGPAQJHPQBICXGP-UHFFFAOYSA-N
MW216.20 g/mol
LogP2.15
Rot. Bonds3

About (4-nitrophenyl)-(1H-pyrrol-3-yl)methanone

(4-nitrophenyl)-(1H-pyrrol-3-yl)methanone (PubChem CID 10703913) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is (4-nitrophenyl)-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name(4-nitrophenyl)-(1H-pyrrol-3-yl)methanone
PubChem CID10703913
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name(4-nitrophenyl)-(1H-pyrrol-3-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)c1cc[nH]c1
InChIInChI=1S/C11H8N2O3/c14-11(9-5-6-12-7-9)8-1-3-10(4-2-8)13(15)16/h1-7,12H
InChIKeyGPAQJHPQBICXGP-UHFFFAOYSA-N
XLogP2.15
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-nitrophenyl)-(1H-pyrrol-3-yl)methanone 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

N'-(4-nitrophenyl)-1H-pyrrole-3-carbohydrazide
CID 141450120
4-(4-nitrobenzoyl)benzoate
CID 6943506
(4-nitrophenyl)-(4-sulfanylphenyl)methanone
CID 14374022
carbonic acid;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 175319577
[4-[4-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone
CID 14344371
acetic acid;(4-nitrophenyl)-phenylmethanone
CID 162340702
hydrazine;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 172745216
4-(4-nitrobenzoyl)benzoic acid;trioxochromium
CID 174849994
4-(4-nitrobenzoyl)benzenediazonium
CID 18435097
methyl 4-(4-nitrobenzoyl)benzoate
CID 596153
(4-nitrophenyl)-(2,3,4,5,6-pentadeuteriophenyl)methanone
CID 15555294
methanediimine;bis((4-nitrophenyl)-phenylmethanone)
CID 174915149

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)-(1H-pyrrol-3-yl)methanone?
The IUPAC name of (4-nitrophenyl)-(1H-pyrrol-3-yl)methanone (CID 10703913) is (4-nitrophenyl)-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for (4-nitrophenyl)-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for (4-nitrophenyl)-(1H-pyrrol-3-yl)methanone is O=C(c1ccc([N+](=O)[O-])cc1)c1cc[nH]c1.
What is the InChIKey of (4-nitrophenyl)-(1H-pyrrol-3-yl)methanone?
The InChIKey is GPAQJHPQBICXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c14-11(9-5-6-12-7-9)8-1-3-10(4-2-8)13(15)16/h1-7,12H.
What are the key properties of (4-nitrophenyl)-(1H-pyrrol-3-yl)methanone?
(4-nitrophenyl)-(1H-pyrrol-3-yl)methanone has a molecular weight of 216.20 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 10703913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).