4-[(E)-2-nitroethenyl]-1H-indole

C10H8N2O2 — CID 13100900

IUPAC4-[(E)-2-nitroethenyl]-1H-indole
SMILESO=[N+]([O-])/C=C/c1cccc2[nH]ccc12
InChIInChI=1S/C10H8N2O2/c13-12(14)7-5-8-2-1-3-10-9(8)4-6-11-10/h1-7,11H/b7-5+
InChIKeyDQVWAEMRCAYLKH-FNORWQNLSA-N
MW188.19 g/mol
LogP2.42
Rot. Bonds2

About 4-[(E)-2-nitroethenyl]-1H-indole

4-[(E)-2-nitroethenyl]-1H-indole (PubChem CID 13100900) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 4-[(E)-2-nitroethenyl]-1H-indole.

Molecular Properties

Compound Name4-[(E)-2-nitroethenyl]-1H-indole
PubChem CID13100900
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name4-[(E)-2-nitroethenyl]-1H-indole
SMILESO=[N+]([O-])/C=C/c1cccc2[nH]ccc12
InChIInChI=1S/C10H8N2O2/c13-12(14)7-5-8-2-1-3-10-9(8)4-6-11-10/h1-7,11H/b7-5+
InChIKeyDQVWAEMRCAYLKH-FNORWQNLSA-N
XLogP2.42
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-prop-1-enyl-1H-indole
CID 77378608
(1E,4E)-1,5-bis(1H-indol-4-yl)penta-1,4-dien-3-one
CID 176830385
1,2-bis(2-nitroethenyl)benzene
CID 154283712
4-(1H-indol-4-yl)but-3-enoic acid
CID 170483706
4-[(1E)-3-methylbuta-1,3-dienyl]-1H-indole
CID 132505356
5-(2-nitroethenyl)-1H-indole
CID 54465016
6-fluoro-3-[(Z)-2-nitroethenyl]-1H-indole
CID 124637317
5-fluoro-3-(2-nitroethenyl)-1H-indole
CID 2774669
4-hept-1-enyl-1H-indole
CID 174657587
1-(4-hydroxyphenyl)-7-(1H-indol-4-yl)hepta-1,6-diene-3,5-dione
CID 68551825
2-ethoxy-1-methoxy-3-[(Z)-2-nitroethenyl]benzene
CID 2060851
5-benzyl-3-[(E)-2-nitroethenyl]-1H-indole
CID 15342556

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-nitroethenyl]-1H-indole?
The IUPAC name of 4-[(E)-2-nitroethenyl]-1H-indole (CID 13100900) is 4-[(E)-2-nitroethenyl]-1H-indole.
What is the SMILES notation for 4-[(E)-2-nitroethenyl]-1H-indole?
The canonical SMILES for 4-[(E)-2-nitroethenyl]-1H-indole is O=[N+]([O-])/C=C/c1cccc2[nH]ccc12.
What is the InChIKey of 4-[(E)-2-nitroethenyl]-1H-indole?
The InChIKey is DQVWAEMRCAYLKH-FNORWQNLSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-12(14)7-5-8-2-1-3-10-9(8)4-6-11-10/h1-7,11H/b7-5+.
What are the key properties of 4-[(E)-2-nitroethenyl]-1H-indole?
4-[(E)-2-nitroethenyl]-1H-indole has a molecular weight of 188.19 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-nitroethenyl]-1H-indole is sourced from PubChem (CID 13100900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).