3-nitro-2-phenylthiophene;1H-pyrrole

C14H12N2O2S — CID 68501206

IUPAC3-nitro-2-phenylthiophene;1H-pyrrole
SMILESO=[N+]([O-])c1ccsc1-c1ccccc1.c1cc[nH]c1
InChIInChI=1S/C10H7NO2S.C4H5N/c12-11(13)9-6-7-14-10(9)8-4-2-1-3-5-8;1-2-4-5-3-1/h1-7H;1-5H
InChIKeyCMBXYYDPKPKKSU-UHFFFAOYSA-N
MW272.33 g/mol
LogP4.34
Rot. Bonds2

About 3-nitro-2-phenylthiophene;1H-pyrrole

3-nitro-2-phenylthiophene;1H-pyrrole (PubChem CID 68501206) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-nitro-2-phenylthiophene;1H-pyrrole.

Molecular Properties

Compound Name3-nitro-2-phenylthiophene;1H-pyrrole
PubChem CID68501206
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name3-nitro-2-phenylthiophene;1H-pyrrole
SMILESO=[N+]([O-])c1ccsc1-c1ccccc1.c1cc[nH]c1
InChIInChI=1S/C10H7NO2S.C4H5N/c12-11(13)9-6-7-14-10(9)8-4-2-1-3-5-8;1-2-4-5-3-1/h1-7H;1-5H
InChIKeyCMBXYYDPKPKKSU-UHFFFAOYSA-N
XLogP4.34
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 54.34
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'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-phenylthiophene;1H-pyrrole?
The IUPAC name of 3-nitro-2-phenylthiophene;1H-pyrrole (CID 68501206) is 3-nitro-2-phenylthiophene;1H-pyrrole.
What is the SMILES notation for 3-nitro-2-phenylthiophene;1H-pyrrole?
The canonical SMILES for 3-nitro-2-phenylthiophene;1H-pyrrole is O=[N+]([O-])c1ccsc1-c1ccccc1.c1cc[nH]c1.
What is the InChIKey of 3-nitro-2-phenylthiophene;1H-pyrrole?
The InChIKey is CMBXYYDPKPKKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2S.C4H5N/c12-11(13)9-6-7-14-10(9)8-4-2-1-3-5-8;1-2-4-5-3-1/h1-7H;1-5H.
What are the key properties of 3-nitro-2-phenylthiophene;1H-pyrrole?
3-nitro-2-phenylthiophene;1H-pyrrole has a molecular weight of 272.33 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-phenylthiophene;1H-pyrrole is sourced from PubChem (CID 68501206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).