5-(2-nitroethenyl)-1H-indole

C10H8N2O2 — CID 54465016

IUPAC5-(2-nitroethenyl)-1H-indole
SMILESO=[N+]([O-])C=Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C10H8N2O2/c13-12(14)6-4-8-1-2-10-9(7-8)3-5-11-10/h1-7,11H
InChIKeyXEFIVGQCEDZMHM-UHFFFAOYSA-N
MW188.19 g/mol
LogP2.42
Rot. Bonds2

About 5-(2-nitroethenyl)-1H-indole

5-(2-nitroethenyl)-1H-indole (PubChem CID 54465016) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 5-(2-nitroethenyl)-1H-indole.

Molecular Properties

Compound Name5-(2-nitroethenyl)-1H-indole
PubChem CID54465016
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name5-(2-nitroethenyl)-1H-indole
SMILESO=[N+]([O-])C=Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C10H8N2O2/c13-12(14)6-4-8-1-2-10-9(7-8)3-5-11-10/h1-7,11H
InChIKeyXEFIVGQCEDZMHM-UHFFFAOYSA-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

5-[(Z)-2-chloroethenyl]-1H-indole
CID 145444556
5-[(E)-2-(4-iodophenyl)ethenyl]-1H-indole
CID 135043581
4-(1H-indol-5-yl)but-3-en-1-amine
CID 170487084
5-(2-pyridin-4-ylethenyl)-1H-indole
CID 54050993
(E)-3-(1H-indol-5-yl)prop-2-en-1-amine
CID 117276942
2-(1H-indol-5-yl)-N-methylethenesulfonamide
CID 54193929
5-(4-bromobut-1-enyl)-1H-indole
CID 170497591
1,2-difluoro-4-(2-nitroethenyl)benzene
CID 66801984
S-[3-(1H-indol-5-yl)prop-2-enyl] ethanethioate
CID 169457351
5H-[1,3]dioxolo[4,5-f]indole;5-nitro-6-[(E)-2-nitroethenyl]-1,3-benzodioxole
CID 161373330
(E)-1-(2-hydroxyphenyl)-3-(1H-indol-5-yl)prop-2-en-1-one
CID 118909598
5-[(E)-3-(sulfinoamino)prop-1-enyl]-1H-indole
CID 89272280

Frequently Asked Questions

What is the IUPAC name of 5-(2-nitroethenyl)-1H-indole?
The IUPAC name of 5-(2-nitroethenyl)-1H-indole (CID 54465016) is 5-(2-nitroethenyl)-1H-indole.
What is the SMILES notation for 5-(2-nitroethenyl)-1H-indole?
The canonical SMILES for 5-(2-nitroethenyl)-1H-indole is O=[N+]([O-])C=Cc1ccc2[nH]ccc2c1.
What is the InChIKey of 5-(2-nitroethenyl)-1H-indole?
The InChIKey is XEFIVGQCEDZMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-12(14)6-4-8-1-2-10-9(7-8)3-5-11-10/h1-7,11H.
What are the key properties of 5-(2-nitroethenyl)-1H-indole?
5-(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 5-(2-nitroethenyl)-1H-indole is sourced from PubChem (CID 54465016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).