5-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline

C10H12N2O2 — CID 70281218

IUPAC5-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc([N+](=O)[O-])c2c1CCNC2
InChIInChI=1S/C10H12N2O2/c1-7-2-3-10(12(13)14)9-6-11-5-4-8(7)9/h2-3,11H,4-6H2,1H3
InChIKeyGFVTYHJBKJGUPD-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.55
Rot. Bonds1

About 5-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline

5-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline (PubChem CID 70281218) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 5-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline
PubChem CID70281218
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name5-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc([N+](=O)[O-])c2c1CCNC2
InChIInChI=1S/C10H12N2O2/c1-7-2-3-10(12(13)14)9-6-11-5-4-8(7)9/h2-3,11H,4-6H2,1H3
InChIKeyGFVTYHJBKJGUPD-UHFFFAOYSA-N
XLogP1.55
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.55
H-Bond Donors ≤ 51
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

6,9-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 75464980
6-methyl-9-nitro-1,2,3,5-tetrahydro-4,1-benzoxazepine
CID 54011727
N-(2-acetyl-5-bromo-7-methyl-3,4-dihydro-1H-isoquinolin-8-yl)acetamide;5-bromo-8-nitro-1,2,3,4-tetrahydroisoquinoline
CID 54565341
7-chloro-4-nitro-2,3-dihydro-1H-indole
CID 57437687
N-(6-methyl-3-nitro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 81139353
ethane;5-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline
CID 145416816
(1R)-1-methyl-5-nitro-1,2,3,4-tetrahydroisoquinoline
CID 130704024
1-(2-methyl-5-nitrophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 82587224
3-methyl-6-nitrobenzene-1,2-diol
CID 45121162
3-methyl-6-nitrobenzene-1,2-diamine
CID 54544550
6-methoxy-5-nitro-1,2,3,4-tetrahydroisoquinoline
CID 59585598
5-nitro-1,2,3,4-tetrahydroquinazoline
CID 67696977

Frequently Asked Questions

What is the IUPAC name of 5-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline (CID 70281218) is 5-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline is Cc1ccc([N+](=O)[O-])c2c1CCNC2.
What is the InChIKey of 5-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is GFVTYHJBKJGUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-7-2-3-10(12(13)14)9-6-11-5-4-8(7)9/h2-3,11H,4-6H2,1H3.
What are the key properties of 5-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline?
5-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 192.22 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 70281218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).