10-methyl-9-nitro-5,6-dihydropyrrolo[2,1-a]isoquinoline

C13H12N2O2 — CID 102187274

IUPAC10-methyl-9-nitro-5,6-dihydropyrrolo[2,1-a]isoquinoline
SMILESCc1c([N+](=O)[O-])ccc2c1-c1cccn1CC2
InChIInChI=1S/C13H12N2O2/c1-9-11(15(16)17)5-4-10-6-8-14-7-2-3-12(14)13(9)10/h2-5,7H,6,8H2,1H3
InChIKeyVORVLTRQXHPKDL-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.93
Rot. Bonds1

About 10-methyl-9-nitro-5,6-dihydropyrrolo[2,1-a]isoquinoline

10-methyl-9-nitro-5,6-dihydropyrrolo[2,1-a]isoquinoline (PubChem CID 102187274) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 10-methyl-9-nitro-5,6-dihydropyrrolo[2,1-a]isoquinoline.

Molecular Properties

Compound Name10-methyl-9-nitro-5,6-dihydropyrrolo[2,1-a]isoquinoline
PubChem CID102187274
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name10-methyl-9-nitro-5,6-dihydropyrrolo[2,1-a]isoquinoline
SMILESCc1c([N+](=O)[O-])ccc2c1-c1cccn1CC2
InChIInChI=1S/C13H12N2O2/c1-9-11(15(16)17)5-4-10-6-8-14-7-2-3-12(14)13(9)10/h2-5,7H,6,8H2,1H3
InChIKeyVORVLTRQXHPKDL-UHFFFAOYSA-N
XLogP2.93
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.93
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'}

Analyze 10-methyl-9-nitro-5,6-dihydropyrrolo[2,1-a]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-3-(9-nitro-5,6-dihydropyrrolo[1,2-c][3]benzazepin-11-ylidene)propan-1-amine
CID 54534525
16-methyl-17-nitro-9-azatetracyclo[13.4.0.02,7.09,13]nonadeca-1(15),2,4,6,10,12,16,18-octaene
CID 134849182
2-(2-methyl-3-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 35288166
1-chloro-2-methyl-3-nitrobenzene
CID 6740
7-nitro-2,3-dihydroinden-1-one
CID 45072698
1-[4-(2-methyl-3-nitrophenyl)piperazin-1-yl]ethanone
CID 68592977
4-[(2-methyl-3-nitrophenyl)methylidene]piperidine-1-carboxylic acid
CID 155212046
1-[(2-methyl-3-nitrophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 60505069
2-methyl-1-methylsulfonyl-3-nitrobenzene
CID 11746002
(3R)-1-(2-methyl-3-nitrophenyl)sulfonylpyrrolidin-3-ol
CID 66291461
(3-hydroxypyrrolidin-1-yl)-(2-methyl-3-nitrophenyl)methanone
CID 62918267
1-methyl-2-(2-methyl-6-nitrophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 55907573

Frequently Asked Questions

What is the IUPAC name of 10-methyl-9-nitro-5,6-dihydropyrrolo[2,1-a]isoquinoline?
The IUPAC name of 10-methyl-9-nitro-5,6-dihydropyrrolo[2,1-a]isoquinoline (CID 102187274) is 10-methyl-9-nitro-5,6-dihydropyrrolo[2,1-a]isoquinoline.
What is the SMILES notation for 10-methyl-9-nitro-5,6-dihydropyrrolo[2,1-a]isoquinoline?
The canonical SMILES for 10-methyl-9-nitro-5,6-dihydropyrrolo[2,1-a]isoquinoline is Cc1c([N+](=O)[O-])ccc2c1-c1cccn1CC2.
What is the InChIKey of 10-methyl-9-nitro-5,6-dihydropyrrolo[2,1-a]isoquinoline?
The InChIKey is VORVLTRQXHPKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-9-11(15(16)17)5-4-10-6-8-14-7-2-3-12(14)13(9)10/h2-5,7H,6,8H2,1H3.
What are the key properties of 10-methyl-9-nitro-5,6-dihydropyrrolo[2,1-a]isoquinoline?
10-methyl-9-nitro-5,6-dihydropyrrolo[2,1-a]isoquinoline has a molecular weight of 228.25 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-9-nitro-5,6-dihydropyrrolo[2,1-a]isoquinoline is sourced from PubChem (CID 102187274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).