3-methyl-1-(4-nitrophenyl)-2,3-dihydrobenzo[g]indole

C19H16N2O2 — CID 25188544

IUPAC3-methyl-1-(4-nitrophenyl)-2,3-dihydrobenzo[g]indole
SMILESCC1CN(c2ccc([N+](=O)[O-])cc2)c2c1ccc1ccccc21
InChIInChI=1S/C19H16N2O2/c1-13-12-20(15-7-9-16(10-8-15)21(22)23)19-17(13)11-6-14-4-2-3-5-18(14)19/h2-11,13H,12H2,1H3
InChIKeyLGQIZBOYXAKWKT-UHFFFAOYSA-N
MW304.35 g/mol
LogP5.00
Rot. Bonds2

About 3-methyl-1-(4-nitrophenyl)-2,3-dihydrobenzo[g]indole

3-methyl-1-(4-nitrophenyl)-2,3-dihydrobenzo[g]indole (PubChem CID 25188544) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-methyl-1-(4-nitrophenyl)-2,3-dihydrobenzo[g]indole.

Molecular Properties

Compound Name3-methyl-1-(4-nitrophenyl)-2,3-dihydrobenzo[g]indole
PubChem CID25188544
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name3-methyl-1-(4-nitrophenyl)-2,3-dihydrobenzo[g]indole
SMILESCC1CN(c2ccc([N+](=O)[O-])cc2)c2c1ccc1ccccc21
InChIInChI=1S/C19H16N2O2/c1-13-12-20(15-7-9-16(10-8-15)21(22)23)19-17(13)11-6-14-4-2-3-5-18(14)19/h2-11,13H,12H2,1H3
InChIKeyLGQIZBOYXAKWKT-UHFFFAOYSA-N
XLogP5.00
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.35
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methyl-1-(4-nitrophenyl)-7-(trifluoromethyl)-2,3-dihydroindole
CID 25188824
1-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-dihydrobenzo[e]indole
CID 163282297
(2R,6R)-2,6-dimethyl-4-(4-nitrophenyl)morpholine
CID 7062388
1,4-bis(4-nitrophenyl)-2,5-diphenylpiperazine
CID 101127745
1-methyl-4-nitrobenzene;3-methylphenanthrene
CID 91179240
2-naphthalen-2-yl-1-(4-nitrophenyl)aziridine
CID 24756097
15-(4-nitrophenyl)-12,18-dioxa-15-azahexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,13(17),20,22,24,26-undecaene-14,16-dione
CID 71605507
1-(4-nitrophenyl)-2,3-dihydropyrrole
CID 67551933
2-methyl-4-(4-nitrophenyl)morpholine
CID 71113420
(1S,3R)-1-(4-nitrophenyl)-3-phenyl-2,3-dihydro-1H-benzo[f][1,3]benzoxazine
CID 11303599
(9R)-9,11,11-trimethyl-3-(4-nitrophenyl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene
CID 917143
1-nitronaphthalene;hydrate
CID 174470741

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-nitrophenyl)-2,3-dihydrobenzo[g]indole?
The IUPAC name of 3-methyl-1-(4-nitrophenyl)-2,3-dihydrobenzo[g]indole (CID 25188544) is 3-methyl-1-(4-nitrophenyl)-2,3-dihydrobenzo[g]indole.
What is the SMILES notation for 3-methyl-1-(4-nitrophenyl)-2,3-dihydrobenzo[g]indole?
The canonical SMILES for 3-methyl-1-(4-nitrophenyl)-2,3-dihydrobenzo[g]indole is CC1CN(c2ccc([N+](=O)[O-])cc2)c2c1ccc1ccccc21.
What is the InChIKey of 3-methyl-1-(4-nitrophenyl)-2,3-dihydrobenzo[g]indole?
The InChIKey is LGQIZBOYXAKWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-13-12-20(15-7-9-16(10-8-15)21(22)23)19-17(13)11-6-14-4-2-3-5-18(14)19/h2-11,13H,12H2,1H3.
What are the key properties of 3-methyl-1-(4-nitrophenyl)-2,3-dihydrobenzo[g]indole?
3-methyl-1-(4-nitrophenyl)-2,3-dihydrobenzo[g]indole has a molecular weight of 304.35 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-nitrophenyl)-2,3-dihydrobenzo[g]indole is sourced from PubChem (CID 25188544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).