(6-nitro-1H-indol-3-yl)-thiophen-2-ylmethanone

C13H8N2O3S — CID 43463851

IUPAC(6-nitro-1H-indol-3-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1c[nH]c2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C13H8N2O3S/c16-13(12-2-1-5-19-12)10-7-14-11-6-8(15(17)18)3-4-9(10)11/h1-7,14H
InChIKeyVPNUBUTZICCUIR-UHFFFAOYSA-N
MW272.29 g/mol
LogP3.37
Rot. Bonds3

About (6-nitro-1H-indol-3-yl)-thiophen-2-ylmethanone

(6-nitro-1H-indol-3-yl)-thiophen-2-ylmethanone (PubChem CID 43463851) has the molecular formula C13H8N2O3S and a molecular weight of 272.29 g/mol. Its IUPAC name is (6-nitro-1H-indol-3-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(6-nitro-1H-indol-3-yl)-thiophen-2-ylmethanone
PubChem CID43463851
Molecular FormulaC13H8N2O3S
Molecular Weight272.29 g/mol
Exact Mass272.03
IUPAC Name(6-nitro-1H-indol-3-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1c[nH]c2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C13H8N2O3S/c16-13(12-2-1-5-19-12)10-7-14-11-6-8(15(17)18)3-4-9(10)11/h1-7,14H
InChIKeyVPNUBUTZICCUIR-UHFFFAOYSA-N
XLogP3.37
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 53.37
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

(4,5-dimethylthiophen-2-yl)-(6-nitro-1H-indol-3-yl)methanone
CID 65237307
2-bromo-1-(6-nitro-1H-indol-3-yl)ethanone
CID 43308931
cyclopropyl-(6-nitro-1H-indol-3-yl)methanone
CID 43308968
methyl 2-(6-nitro-1H-indol-3-yl)-2-oxoacetate
CID 75412293
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
(5-ethoxy-1H-indol-3-yl)-thiophen-2-ylmethanone
CID 80643738
(6-nitro-1H-indol-3-yl)-(oxan-4-yl)methanone
CID 62907561
3-bromo-6-nitro-1H-indole
CID 14707934
(5-nitro-1H-indol-3-yl)-pyridin-3-ylmethanone
CID 43340513
3,4,4-trimethyl-1-(6-nitro-1H-indol-3-yl)pentan-1-one
CID 63834645
methane;2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide
CID 158561072

Frequently Asked Questions

What is the IUPAC name of (6-nitro-1H-indol-3-yl)-thiophen-2-ylmethanone?
The IUPAC name of (6-nitro-1H-indol-3-yl)-thiophen-2-ylmethanone (CID 43463851) is (6-nitro-1H-indol-3-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (6-nitro-1H-indol-3-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (6-nitro-1H-indol-3-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)c1c[nH]c2cc([N+](=O)[O-])ccc12.
What is the InChIKey of (6-nitro-1H-indol-3-yl)-thiophen-2-ylmethanone?
The InChIKey is VPNUBUTZICCUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O3S/c16-13(12-2-1-5-19-12)10-7-14-11-6-8(15(17)18)3-4-9(10)11/h1-7,14H.
What are the key properties of (6-nitro-1H-indol-3-yl)-thiophen-2-ylmethanone?
(6-nitro-1H-indol-3-yl)-thiophen-2-ylmethanone has a molecular weight of 272.29 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-nitro-1H-indol-3-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 43463851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).