(4,5-dimethylthiophen-2-yl)-(6-nitro-1H-indol-3-yl)methanone

C15H12N2O3S — CID 65237307

IUPAC(4,5-dimethylthiophen-2-yl)-(6-nitro-1H-indol-3-yl)methanone
SMILESCc1cc(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)sc1C
InChIInChI=1S/C15H12N2O3S/c1-8-5-14(21-9(8)2)15(18)12-7-16-13-6-10(17(19)20)3-4-11(12)13/h3-7,16H,1-2H3
InChIKeyOOOWREBBAZDWFL-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.99
Rot. Bonds3

About (4,5-dimethylthiophen-2-yl)-(6-nitro-1H-indol-3-yl)methanone

(4,5-dimethylthiophen-2-yl)-(6-nitro-1H-indol-3-yl)methanone (PubChem CID 65237307) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is (4,5-dimethylthiophen-2-yl)-(6-nitro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(4,5-dimethylthiophen-2-yl)-(6-nitro-1H-indol-3-yl)methanone
PubChem CID65237307
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name(4,5-dimethylthiophen-2-yl)-(6-nitro-1H-indol-3-yl)methanone
SMILESCc1cc(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)sc1C
InChIInChI=1S/C15H12N2O3S/c1-8-5-14(21-9(8)2)15(18)12-7-16-13-6-10(17(19)20)3-4-11(12)13/h3-7,16H,1-2H3
InChIKeyOOOWREBBAZDWFL-UHFFFAOYSA-N
XLogP3.99
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.99
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

(6-bromo-1H-indol-3-yl)-(4,5-dimethylthiophen-2-yl)methanone
CID 65237633
(6-nitro-1H-indol-3-yl)-thiophen-2-ylmethanone
CID 43463851
3-methyl-7-nitro-1H-quinolin-4-one
CID 10560102
methyl 2-(6-nitro-1H-indol-3-yl)-2-oxoacetate
CID 75412293
2-bromo-1-(6-nitro-1H-indol-3-yl)ethanone
CID 43308931
cyclopropyl-(6-nitro-1H-indol-3-yl)methanone
CID 43308968
2-methyl-1-(6-nitro-1H-indol-3-yl)butan-1-one
CID 43308954
(2-methylcyclopropyl)-(6-nitro-1H-indol-3-yl)methanone
CID 43308958
3-(5-bromo-4-methylthiophene-2-carbonyl)-1H-indole-6-carbonitrile
CID 107916791
3,4,4-trimethyl-1-(6-nitro-1H-indol-3-yl)pentan-1-one
CID 63834645
(6-nitro-1H-indol-3-yl)-(oxan-4-yl)methanone
CID 62907561
(1S)-1-(6-nitro-1H-indol-3-yl)ethanamine
CID 82758109

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylthiophen-2-yl)-(6-nitro-1H-indol-3-yl)methanone?
The IUPAC name of (4,5-dimethylthiophen-2-yl)-(6-nitro-1H-indol-3-yl)methanone (CID 65237307) is (4,5-dimethylthiophen-2-yl)-(6-nitro-1H-indol-3-yl)methanone.
What is the SMILES notation for (4,5-dimethylthiophen-2-yl)-(6-nitro-1H-indol-3-yl)methanone?
The canonical SMILES for (4,5-dimethylthiophen-2-yl)-(6-nitro-1H-indol-3-yl)methanone is Cc1cc(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)sc1C.
What is the InChIKey of (4,5-dimethylthiophen-2-yl)-(6-nitro-1H-indol-3-yl)methanone?
The InChIKey is OOOWREBBAZDWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-8-5-14(21-9(8)2)15(18)12-7-16-13-6-10(17(19)20)3-4-11(12)13/h3-7,16H,1-2H3.
What are the key properties of (4,5-dimethylthiophen-2-yl)-(6-nitro-1H-indol-3-yl)methanone?
(4,5-dimethylthiophen-2-yl)-(6-nitro-1H-indol-3-yl)methanone has a molecular weight of 300.34 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylthiophen-2-yl)-(6-nitro-1H-indol-3-yl)methanone is sourced from PubChem (CID 65237307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).