5-chloro-3a,7a-dihydro-1H-indol-4-ol

C8H8ClNO — CID 146475825

IUPAC5-chloro-3a,7a-dihydro-1H-indol-4-ol
SMILESOC1=C(Cl)C=CC2NC=CC12
InChIInChI=1S/C8H8ClNO/c9-6-1-2-7-5(8(6)11)3-4-10-7/h1-5,7,10-11H
InChIKeySNEQZGOBDZJLML-UHFFFAOYSA-N
MW169.61 g/mol
LogP1.67
Rot. Bonds

About 5-chloro-3a,7a-dihydro-1H-indol-4-ol

5-chloro-3a,7a-dihydro-1H-indol-4-ol (PubChem CID 146475825) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is 5-chloro-3a,7a-dihydro-1H-indol-4-ol.

Molecular Properties

Compound Name5-chloro-3a,7a-dihydro-1H-indol-4-ol
PubChem CID146475825
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name5-chloro-3a,7a-dihydro-1H-indol-4-ol
SMILESOC1=C(Cl)C=CC2NC=CC12
InChIInChI=1S/C8H8ClNO/c9-6-1-2-7-5(8(6)11)3-4-10-7/h1-5,7,10-11H
InChIKeySNEQZGOBDZJLML-UHFFFAOYSA-N
XLogP1.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-3a,7a-dihydro-1H-indol-6-ol
CID 68345621
5-ethyl-3a,7a-dihydro-1H-indol-7-ol
CID 68345622
5-methyl-3a,7a-dihydro-1H-indol-7-ol
CID 143778533
5-methyl-3a,7a-dihydro-1H-indol-7-ol;propane
CID 143778580
3a,7a-dihydro-1H-indol-4-ol
CID 146475746
1-Tert-butyl-5-chloro-3a,7a-dihydroindol-4-ol
CID 166849798
5-Chloro-1-propan-2-yl-3a,7a-dihydroindol-4-ol
CID 166849816
5-methyl-3a,7a-dihydro-1H-indol-4-ol
CID 163536934

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3a,7a-dihydro-1H-indol-4-ol?
The IUPAC name of 5-chloro-3a,7a-dihydro-1H-indol-4-ol (CID 146475825) is 5-chloro-3a,7a-dihydro-1H-indol-4-ol.
What is the SMILES notation for 5-chloro-3a,7a-dihydro-1H-indol-4-ol?
The canonical SMILES for 5-chloro-3a,7a-dihydro-1H-indol-4-ol is OC1=C(Cl)C=CC2NC=CC12.
What is the InChIKey of 5-chloro-3a,7a-dihydro-1H-indol-4-ol?
The InChIKey is SNEQZGOBDZJLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO/c9-6-1-2-7-5(8(6)11)3-4-10-7/h1-5,7,10-11H.
What are the key properties of 5-chloro-3a,7a-dihydro-1H-indol-4-ol?
5-chloro-3a,7a-dihydro-1H-indol-4-ol has a molecular weight of 169.61 g/mol, XLogP of 1.67, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3a,7a-dihydro-1H-indol-4-ol is sourced from PubChem (CID 146475825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).