2-prop-2-enyl-2,3-dihydro-1H-indol-5-ol

C11H13NO — CID 102526168

IUPAC2-prop-2-enyl-2,3-dihydro-1H-indol-5-ol
SMILESC=CCC1Cc2cc(O)ccc2N1
InChIInChI=1S/C11H13NO/c1-2-3-9-6-8-7-10(13)4-5-11(8)12-9/h2,4-5,7,9,12-13H,1,3,6H2
InChIKeyQMOJQMGTCSABHK-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.30
Rot. Bonds2

About 2-prop-2-enyl-2,3-dihydro-1H-indol-5-ol

2-prop-2-enyl-2,3-dihydro-1H-indol-5-ol (PubChem CID 102526168) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-prop-2-enyl-2,3-dihydro-1H-indol-5-ol.

Molecular Properties

Compound Name2-prop-2-enyl-2,3-dihydro-1H-indol-5-ol
PubChem CID102526168
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-prop-2-enyl-2,3-dihydro-1H-indol-5-ol
SMILESC=CCC1Cc2cc(O)ccc2N1
InChIInChI=1S/C11H13NO/c1-2-3-9-6-8-7-10(13)4-5-11(8)12-9/h2,4-5,7,9,12-13H,1,3,6H2
InChIKeyQMOJQMGTCSABHK-UHFFFAOYSA-N
XLogP2.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-prop-2-enyl-2,3-dihydro-1H-indole
CID 119086663
(2R)-2-prop-2-enyl-2,3-dihydro-1H-indole
CID 1380957
2-(difluoromethyl)-2,3-dihydro-1H-indol-5-ol
CID 84659924
2-(4-hydroxyphenyl)-2,3-dihydro-1H-indol-5-ol
CID 84691197
2-(methylaminomethyl)-1,2,3,4-tetrahydroquinolin-6-ol
CID 105446256
2-(4-fluorophenyl)-2,3-dihydro-1H-indol-5-ol
CID 84692622
[(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]methanol
CID 131181494
7-chloro-2-ethenyl-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol
CID 90723595
[(2R)-5-iodo-2,3-dihydro-1H-indol-2-yl]methanol
CID 130722404
1-(5-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol
CID 117200787
CID 101024891
CID 101024891
2-(5-methoxy-2,3-dihydro-1H-indol-2-yl)acetaldehyde
CID 112710978

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-2,3-dihydro-1H-indol-5-ol?
The IUPAC name of 2-prop-2-enyl-2,3-dihydro-1H-indol-5-ol (CID 102526168) is 2-prop-2-enyl-2,3-dihydro-1H-indol-5-ol.
What is the SMILES notation for 2-prop-2-enyl-2,3-dihydro-1H-indol-5-ol?
The canonical SMILES for 2-prop-2-enyl-2,3-dihydro-1H-indol-5-ol is C=CCC1Cc2cc(O)ccc2N1.
What is the InChIKey of 2-prop-2-enyl-2,3-dihydro-1H-indol-5-ol?
The InChIKey is QMOJQMGTCSABHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-3-9-6-8-7-10(13)4-5-11(8)12-9/h2,4-5,7,9,12-13H,1,3,6H2.
What are the key properties of 2-prop-2-enyl-2,3-dihydro-1H-indol-5-ol?
2-prop-2-enyl-2,3-dihydro-1H-indol-5-ol has a molecular weight of 175.23 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-2,3-dihydro-1H-indol-5-ol is sourced from PubChem (CID 102526168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).