1-methyl-5-nitro-7-phenyl-2,3-dihydroindole

C15H14N2O2 — CID 163907775

IUPAC1-methyl-5-nitro-7-phenyl-2,3-dihydroindole
SMILESCN1CCc2cc([N+](=O)[O-])cc(-c3ccccc3)c21
InChIInChI=1S/C15H14N2O2/c1-16-8-7-12-9-13(17(18)19)10-14(15(12)16)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3
InChIKeyQPMJFSXRPDLVOH-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.25
Rot. Bonds2

About 1-methyl-5-nitro-7-phenyl-2,3-dihydroindole

1-methyl-5-nitro-7-phenyl-2,3-dihydroindole (PubChem CID 163907775) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-methyl-5-nitro-7-phenyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-methyl-5-nitro-7-phenyl-2,3-dihydroindole
PubChem CID163907775
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name1-methyl-5-nitro-7-phenyl-2,3-dihydroindole
SMILESCN1CCc2cc([N+](=O)[O-])cc(-c3ccccc3)c21
InChIInChI=1S/C15H14N2O2/c1-16-8-7-12-9-13(17(18)19)10-14(15(12)16)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3
InChIKeyQPMJFSXRPDLVOH-UHFFFAOYSA-N
XLogP3.25
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-5-nitro-7-phenylindole
CID 90152995
4-nitro-2-phenyl-1-propan-2-ylbenzene
CID 71283713
(4-nitro-2-phenylphenyl)boronic acid
CID 150240507
5a,6,6-trimethyl-2-nitro-4-phenyl-12H-indolo[2,1-b][1,3]benzoxazine
CID 102223161
1-methyl-N-(4-nitrophenyl)-4-phenyl-2,3-dihydropyridin-6-imine
CID 15311172
1-(2-hydroxy-5-nitro-3-phenylphenyl)ethanone
CID 11747254
1-methyl-5-(4-nitrophenyl)-2,3-diphenylpyrrole
CID 15163333
1-[26,27,28-tris(aziridin-1-yl)-5,11,17,23-tetranitro-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]aziridine
CID 102068424
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
15,16-dimethyl-6,13-dinitrotricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene
CID 11727129
5-nitro-7-phenylindole-1-carboxylic acid
CID 141402933
(1-methyl-2,3-dihydroindol-5-yl)-(4-nitrophenyl)diazene
CID 101076082

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-nitro-7-phenyl-2,3-dihydroindole?
The IUPAC name of 1-methyl-5-nitro-7-phenyl-2,3-dihydroindole (CID 163907775) is 1-methyl-5-nitro-7-phenyl-2,3-dihydroindole.
What is the SMILES notation for 1-methyl-5-nitro-7-phenyl-2,3-dihydroindole?
The canonical SMILES for 1-methyl-5-nitro-7-phenyl-2,3-dihydroindole is CN1CCc2cc([N+](=O)[O-])cc(-c3ccccc3)c21.
What is the InChIKey of 1-methyl-5-nitro-7-phenyl-2,3-dihydroindole?
The InChIKey is QPMJFSXRPDLVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-16-8-7-12-9-13(17(18)19)10-14(15(12)16)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 1-methyl-5-nitro-7-phenyl-2,3-dihydroindole?
1-methyl-5-nitro-7-phenyl-2,3-dihydroindole has a molecular weight of 254.29 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-nitro-7-phenyl-2,3-dihydroindole is sourced from PubChem (CID 163907775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).