4-nitro-1-[2-(oxolan-2-yl)ethyl]indole

C14H16N2O3 — CID 116623449

IUPAC4-nitro-1-[2-(oxolan-2-yl)ethyl]indole
SMILESO=[N+]([O-])c1cccc2c1ccn2CCC1CCCO1
InChIInChI=1S/C14H16N2O3/c17-16(18)14-5-1-4-13-12(14)7-9-15(13)8-6-11-3-2-10-19-11/h1,4-5,7,9,11H,2-3,6,8,10H2
InChIKeyPYNMQZZNWAAUDT-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.12
Rot. Bonds4

About 4-nitro-1-[2-(oxolan-2-yl)ethyl]indole

4-nitro-1-[2-(oxolan-2-yl)ethyl]indole (PubChem CID 116623449) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-nitro-1-[2-(oxolan-2-yl)ethyl]indole.

Molecular Properties

Compound Name4-nitro-1-[2-(oxolan-2-yl)ethyl]indole
PubChem CID116623449
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name4-nitro-1-[2-(oxolan-2-yl)ethyl]indole
SMILESO=[N+]([O-])c1cccc2c1ccn2CCC1CCCO1
InChIInChI=1S/C14H16N2O3/c17-16(18)14-5-1-4-13-12(14)7-9-15(13)8-6-11-3-2-10-19-11/h1,4-5,7,9,11H,2-3,6,8,10H2
InChIKeyPYNMQZZNWAAUDT-UHFFFAOYSA-N
XLogP3.12
TPSA57.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.12
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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Frequently Asked Questions

What is the IUPAC name of 4-nitro-1-[2-(oxolan-2-yl)ethyl]indole?
The IUPAC name of 4-nitro-1-[2-(oxolan-2-yl)ethyl]indole (CID 116623449) is 4-nitro-1-[2-(oxolan-2-yl)ethyl]indole.
What is the SMILES notation for 4-nitro-1-[2-(oxolan-2-yl)ethyl]indole?
The canonical SMILES for 4-nitro-1-[2-(oxolan-2-yl)ethyl]indole is O=[N+]([O-])c1cccc2c1ccn2CCC1CCCO1.
What is the InChIKey of 4-nitro-1-[2-(oxolan-2-yl)ethyl]indole?
The InChIKey is PYNMQZZNWAAUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-16(18)14-5-1-4-13-12(14)7-9-15(13)8-6-11-3-2-10-19-11/h1,4-5,7,9,11H,2-3,6,8,10H2.
What are the key properties of 4-nitro-1-[2-(oxolan-2-yl)ethyl]indole?
4-nitro-1-[2-(oxolan-2-yl)ethyl]indole has a molecular weight of 260.29 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-1-[2-(oxolan-2-yl)ethyl]indole is sourced from PubChem (CID 116623449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).