4-chloro-2-cyclopentyl-2,3-dihydro-1H-indol-5-ol

C13H16ClNO — CID 84700466

IUPAC4-chloro-2-cyclopentyl-2,3-dihydro-1H-indol-5-ol
SMILESOc1ccc2c(c1Cl)CC(C1CCCC1)N2
InChIInChI=1S/C13H16ClNO/c14-13-9-7-11(8-3-1-2-4-8)15-10(9)5-6-12(13)16/h5-6,8,11,15-16H,1-4,7H2
InChIKeySUXVZEFJOGVUTA-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.57
Rot. Bonds1

About 4-chloro-2-cyclopentyl-2,3-dihydro-1H-indol-5-ol

4-chloro-2-cyclopentyl-2,3-dihydro-1H-indol-5-ol (PubChem CID 84700466) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 4-chloro-2-cyclopentyl-2,3-dihydro-1H-indol-5-ol.

Molecular Properties

Compound Name4-chloro-2-cyclopentyl-2,3-dihydro-1H-indol-5-ol
PubChem CID84700466
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name4-chloro-2-cyclopentyl-2,3-dihydro-1H-indol-5-ol
SMILESOc1ccc2c(c1Cl)CC(C1CCCC1)N2
InChIInChI=1S/C13H16ClNO/c14-13-9-7-11(8-3-1-2-4-8)15-10(9)5-6-12(13)16/h5-6,8,11,15-16H,1-4,7H2
InChIKeySUXVZEFJOGVUTA-UHFFFAOYSA-N
XLogP3.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopentyl-2,3-dihydro-1H-indol-5-ol?
The IUPAC name of 4-chloro-2-cyclopentyl-2,3-dihydro-1H-indol-5-ol (CID 84700466) is 4-chloro-2-cyclopentyl-2,3-dihydro-1H-indol-5-ol.
What is the SMILES notation for 4-chloro-2-cyclopentyl-2,3-dihydro-1H-indol-5-ol?
The canonical SMILES for 4-chloro-2-cyclopentyl-2,3-dihydro-1H-indol-5-ol is Oc1ccc2c(c1Cl)CC(C1CCCC1)N2.
What is the InChIKey of 4-chloro-2-cyclopentyl-2,3-dihydro-1H-indol-5-ol?
The InChIKey is SUXVZEFJOGVUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-13-9-7-11(8-3-1-2-4-8)15-10(9)5-6-12(13)16/h5-6,8,11,15-16H,1-4,7H2.
What are the key properties of 4-chloro-2-cyclopentyl-2,3-dihydro-1H-indol-5-ol?
4-chloro-2-cyclopentyl-2,3-dihydro-1H-indol-5-ol has a molecular weight of 237.73 g/mol, XLogP of 3.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopentyl-2,3-dihydro-1H-indol-5-ol is sourced from PubChem (CID 84700466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).