5-nitro-1-(2-pyrrolidin-1-ylethyl)indole

C14H17N3O2 — CID 11402695

IUPAC5-nitro-1-(2-pyrrolidin-1-ylethyl)indole
SMILESO=[N+]([O-])c1ccc2c(ccn2CCN2CCCC2)c1
InChIInChI=1S/C14H17N3O2/c18-17(19)13-3-4-14-12(11-13)5-8-16(14)10-9-15-6-1-2-7-15/h3-5,8,11H,1-2,6-7,9-10H2
InChIKeyUWLRKGHHWQFKRT-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.65
Rot. Bonds4

About 5-nitro-1-(2-pyrrolidin-1-ylethyl)indole

5-nitro-1-(2-pyrrolidin-1-ylethyl)indole (PubChem CID 11402695) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-nitro-1-(2-pyrrolidin-1-ylethyl)indole.

Molecular Properties

Compound Name5-nitro-1-(2-pyrrolidin-1-ylethyl)indole
PubChem CID11402695
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-nitro-1-(2-pyrrolidin-1-ylethyl)indole
SMILESO=[N+]([O-])c1ccc2c(ccn2CCN2CCCC2)c1
InChIInChI=1S/C14H17N3O2/c18-17(19)13-3-4-14-12(11-13)5-8-16(14)10-9-15-6-1-2-7-15/h3-5,8,11H,1-2,6-7,9-10H2
InChIKeyUWLRKGHHWQFKRT-UHFFFAOYSA-N
XLogP2.65
TPSA51.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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CID 62023942
N-methyl-2-(5-nitroindol-1-yl)acetamide
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5-nitro-1-(2-thiophen-2-ylethyl)indole
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1-[2-(2-methoxyethoxy)ethyl]-5-nitroindole
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CID 123221033
1-(2-butoxyethyl)-5-nitroindole
CID 116619151
1-(5-nitroindol-1-yl)propan-2-ol
CID 116619106
1-(2-methylprop-2-enyl)-5-nitroindole
CID 116619158
6-nitro-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline
CID 139537484
3,6-dinitro-9-(3-pyrrolidin-1-ylpropyl)carbazole
CID 45381225

Frequently Asked Questions

What is the IUPAC name of 5-nitro-1-(2-pyrrolidin-1-ylethyl)indole?
The IUPAC name of 5-nitro-1-(2-pyrrolidin-1-ylethyl)indole (CID 11402695) is 5-nitro-1-(2-pyrrolidin-1-ylethyl)indole.
What is the SMILES notation for 5-nitro-1-(2-pyrrolidin-1-ylethyl)indole?
The canonical SMILES for 5-nitro-1-(2-pyrrolidin-1-ylethyl)indole is O=[N+]([O-])c1ccc2c(ccn2CCN2CCCC2)c1.
What is the InChIKey of 5-nitro-1-(2-pyrrolidin-1-ylethyl)indole?
The InChIKey is UWLRKGHHWQFKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-17(19)13-3-4-14-12(11-13)5-8-16(14)10-9-15-6-1-2-7-15/h3-5,8,11H,1-2,6-7,9-10H2.
What are the key properties of 5-nitro-1-(2-pyrrolidin-1-ylethyl)indole?
5-nitro-1-(2-pyrrolidin-1-ylethyl)indole has a molecular weight of 259.31 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-1-(2-pyrrolidin-1-ylethyl)indole is sourced from PubChem (CID 11402695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).