(1E)-1-[(E)-3-(2-nitrophenyl)prop-2-enylidene]indene

C18H13NO2 — CID 10754867

IUPAC(1E)-1-[(E)-3-(2-nitrophenyl)prop-2-enylidene]indene
SMILESO=[N+]([O-])c1ccccc1/C=C/C=C1\C=Cc2ccccc21
InChIInChI=1S/C18H13NO2/c20-19(21)18-11-4-2-7-16(18)9-5-8-15-13-12-14-6-1-3-10-17(14)15/h1-13H/b9-5+,15-8+
InChIKeyNIPZZBSPSXXAPP-DFQJZRGGSA-N
MW275.31 g/mol
LogP4.72
Rot. Bonds3

About (1E)-1-[(E)-3-(2-nitrophenyl)prop-2-enylidene]indene

(1E)-1-[(E)-3-(2-nitrophenyl)prop-2-enylidene]indene (PubChem CID 10754867) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is (1E)-1-[(E)-3-(2-nitrophenyl)prop-2-enylidene]indene.

Molecular Properties

Compound Name(1E)-1-[(E)-3-(2-nitrophenyl)prop-2-enylidene]indene
PubChem CID10754867
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name(1E)-1-[(E)-3-(2-nitrophenyl)prop-2-enylidene]indene
SMILESO=[N+]([O-])c1ccccc1/C=C/C=C1\C=Cc2ccccc21
InChIInChI=1S/C18H13NO2/c20-19(21)18-11-4-2-7-16(18)9-5-8-15-13-12-14-6-1-3-10-17(14)15/h1-13H/b9-5+,15-8+
InChIKeyNIPZZBSPSXXAPP-DFQJZRGGSA-N
XLogP4.72
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 54.72
H-Bond Donors ≤ 50
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

3-(2-nitrophenyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]prop-2-en-1-imine
CID 4665830
(2Z,4Z)-5-(2-nitrophenyl)penta-2,4-dienoic acid
CID 92533335
1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene
CID 95239992
2-[(E)-3-(2-nitrophenyl)prop-2-enyl]isoindole-1,3-dione
CID 15736812
(4E)-2-(2-chlorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-1,3-oxazol-5-one
CID 1048995
(5E)-1,6-bis(2-nitrophenyl)hexa-1,5-diene-3,4-dione
CID 5382706
2-[(E)-2-(2-nitrophenyl)ethenyl]aniline
CID 11053766
2-[2-(2-nitrophenyl)ethenyl]aniline
CID 53440979
1,5-bis(2-nitrophenyl)penta-1,4-dien-3-one
CID 91254443
1-(4-methylphenyl)-5-[3-(2-nitrophenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
CID 1353399
1-[(E)-but-1-enyl]-2-nitrobenzene
CID 15667952
1-(3-iodoprop-1-enyl)-2-nitrobenzene
CID 71425895

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[(E)-3-(2-nitrophenyl)prop-2-enylidene]indene?
The IUPAC name of (1E)-1-[(E)-3-(2-nitrophenyl)prop-2-enylidene]indene (CID 10754867) is (1E)-1-[(E)-3-(2-nitrophenyl)prop-2-enylidene]indene.
What is the SMILES notation for (1E)-1-[(E)-3-(2-nitrophenyl)prop-2-enylidene]indene?
The canonical SMILES for (1E)-1-[(E)-3-(2-nitrophenyl)prop-2-enylidene]indene is O=[N+]([O-])c1ccccc1/C=C/C=C1\C=Cc2ccccc21.
What is the InChIKey of (1E)-1-[(E)-3-(2-nitrophenyl)prop-2-enylidene]indene?
The InChIKey is NIPZZBSPSXXAPP-DFQJZRGGSA-N. The full InChI is InChI=1S/C18H13NO2/c20-19(21)18-11-4-2-7-16(18)9-5-8-15-13-12-14-6-1-3-10-17(14)15/h1-13H/b9-5+,15-8+.
What are the key properties of (1E)-1-[(E)-3-(2-nitrophenyl)prop-2-enylidene]indene?
(1E)-1-[(E)-3-(2-nitrophenyl)prop-2-enylidene]indene has a molecular weight of 275.31 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[(E)-3-(2-nitrophenyl)prop-2-enylidene]indene is sourced from PubChem (CID 10754867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).