3-(4-ethylcyclohexen-1-yl)-6-nitro-1H-indole

C16H18N2O2 — CID 143559816

IUPAC3-(4-ethylcyclohexen-1-yl)-6-nitro-1H-indole
SMILESCCC1CC=C(c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1
InChIInChI=1S/C16H18N2O2/c1-2-11-3-5-12(6-4-11)15-10-17-16-9-13(18(19)20)7-8-14(15)16/h5,7-11,17H,2-4,6H2,1H3
InChIKeyHDISFWDTIOUPNY-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.67
Rot. Bonds3

About 3-(4-ethylcyclohexen-1-yl)-6-nitro-1H-indole

3-(4-ethylcyclohexen-1-yl)-6-nitro-1H-indole (PubChem CID 143559816) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-(4-ethylcyclohexen-1-yl)-6-nitro-1H-indole.

Molecular Properties

Compound Name3-(4-ethylcyclohexen-1-yl)-6-nitro-1H-indole
PubChem CID143559816
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-(4-ethylcyclohexen-1-yl)-6-nitro-1H-indole
SMILESCCC1CC=C(c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1
InChIInChI=1S/C16H18N2O2/c1-2-11-3-5-12(6-4-11)15-10-17-16-9-13(18(19)20)7-8-14(15)16/h5,7-11,17H,2-4,6H2,1H3
InChIKeyHDISFWDTIOUPNY-UHFFFAOYSA-N
XLogP4.67
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylcyclohexen-1-yl)-6-nitro-1H-indole?
The IUPAC name of 3-(4-ethylcyclohexen-1-yl)-6-nitro-1H-indole (CID 143559816) is 3-(4-ethylcyclohexen-1-yl)-6-nitro-1H-indole.
What is the SMILES notation for 3-(4-ethylcyclohexen-1-yl)-6-nitro-1H-indole?
The canonical SMILES for 3-(4-ethylcyclohexen-1-yl)-6-nitro-1H-indole is CCC1CC=C(c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1.
What is the InChIKey of 3-(4-ethylcyclohexen-1-yl)-6-nitro-1H-indole?
The InChIKey is HDISFWDTIOUPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-11-3-5-12(6-4-11)15-10-17-16-9-13(18(19)20)7-8-14(15)16/h5,7-11,17H,2-4,6H2,1H3.
What are the key properties of 3-(4-ethylcyclohexen-1-yl)-6-nitro-1H-indole?
3-(4-ethylcyclohexen-1-yl)-6-nitro-1H-indole has a molecular weight of 270.33 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylcyclohexen-1-yl)-6-nitro-1H-indole is sourced from PubChem (CID 143559816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).