1-methyl-4-(6-nitro-1H-indol-3-yl)cyclohex-3-en-1-amine

C15H17N3O2 — CID 69095871

IUPAC1-methyl-4-(6-nitro-1H-indol-3-yl)cyclohex-3-en-1-amine
SMILESCC1(N)CC=C(c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1
InChIInChI=1S/C15H17N3O2/c1-15(16)6-4-10(5-7-15)13-9-17-14-8-11(18(19)20)2-3-12(13)14/h2-4,8-9,17H,5-7,16H2,1H3
InChIKeyQWBCGGXJSUDJTM-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.36
Rot. Bonds2

About 1-methyl-4-(6-nitro-1H-indol-3-yl)cyclohex-3-en-1-amine

1-methyl-4-(6-nitro-1H-indol-3-yl)cyclohex-3-en-1-amine (PubChem CID 69095871) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-methyl-4-(6-nitro-1H-indol-3-yl)cyclohex-3-en-1-amine.

Molecular Properties

Compound Name1-methyl-4-(6-nitro-1H-indol-3-yl)cyclohex-3-en-1-amine
PubChem CID69095871
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-methyl-4-(6-nitro-1H-indol-3-yl)cyclohex-3-en-1-amine
SMILESCC1(N)CC=C(c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1
InChIInChI=1S/C15H17N3O2/c1-15(16)6-4-10(5-7-15)13-9-17-14-8-11(18(19)20)2-3-12(13)14/h2-4,8-9,17H,5-7,16H2,1H3
InChIKeyQWBCGGXJSUDJTM-UHFFFAOYSA-N
XLogP3.36
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.36
H-Bond Donors ≤ 52
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-(4-ethylcyclohexen-1-yl)-6-nitro-1H-indole
CID 143559816
3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-5-nitro-1H-indole
CID 57384806
(1S)-1-(6-nitro-1H-indol-3-yl)ethanamine
CID 82758109
3-bromo-6-nitro-1H-indole
CID 14707934
4-(3-fluoro-4-nitrophenyl)-1-methylcyclohex-3-en-1-amine
CID 165487745
3-methyl-7-nitro-1H-quinolin-4-one
CID 10560102
3-(3,3-dimethyl-1,5-dioxaspiro[5.5]undec-9-en-9-yl)-1H-indole-6-carboxylic acid
CID 58907399
6-nitro-3-[(E)-4-phenylbut-3-en-2-yl]-1H-indole
CID 122373985
(2-methylcyclopropyl)-(6-nitro-1H-indol-3-yl)methanone
CID 43308958
3-(methylsulfanylmethyl)-6-nitro-1H-indole
CID 23245098
sodium 6-nitro-1H-indole-3-sulfinate
CID 165450416
6-nitro-1H-indole-3-sulfonyl chloride
CID 14736087

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(6-nitro-1H-indol-3-yl)cyclohex-3-en-1-amine?
The IUPAC name of 1-methyl-4-(6-nitro-1H-indol-3-yl)cyclohex-3-en-1-amine (CID 69095871) is 1-methyl-4-(6-nitro-1H-indol-3-yl)cyclohex-3-en-1-amine.
What is the SMILES notation for 1-methyl-4-(6-nitro-1H-indol-3-yl)cyclohex-3-en-1-amine?
The canonical SMILES for 1-methyl-4-(6-nitro-1H-indol-3-yl)cyclohex-3-en-1-amine is CC1(N)CC=C(c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1.
What is the InChIKey of 1-methyl-4-(6-nitro-1H-indol-3-yl)cyclohex-3-en-1-amine?
The InChIKey is QWBCGGXJSUDJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-15(16)6-4-10(5-7-15)13-9-17-14-8-11(18(19)20)2-3-12(13)14/h2-4,8-9,17H,5-7,16H2,1H3.
What are the key properties of 1-methyl-4-(6-nitro-1H-indol-3-yl)cyclohex-3-en-1-amine?
1-methyl-4-(6-nitro-1H-indol-3-yl)cyclohex-3-en-1-amine has a molecular weight of 271.32 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(6-nitro-1H-indol-3-yl)cyclohex-3-en-1-amine is sourced from PubChem (CID 69095871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).