1-prop-2-enyl-2,3-dihydroindol-5-ol

C11H13NO — CID 175212901

IUPAC1-prop-2-enyl-2,3-dihydroindol-5-ol
SMILESC=CCN1CCc2cc(O)ccc21
InChIInChI=1S/C11H13NO/c1-2-6-12-7-5-9-8-10(13)3-4-11(9)12/h2-4,8,13H,1,5-7H2
InChIKeyDODJWJPRNSTNQF-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.94
Rot. Bonds2

About 1-prop-2-enyl-2,3-dihydroindol-5-ol

1-prop-2-enyl-2,3-dihydroindol-5-ol (PubChem CID 175212901) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-prop-2-enyl-2,3-dihydroindol-5-ol.

Molecular Properties

Compound Name1-prop-2-enyl-2,3-dihydroindol-5-ol
PubChem CID175212901
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-prop-2-enyl-2,3-dihydroindol-5-ol
SMILESC=CCN1CCc2cc(O)ccc21
InChIInChI=1S/C11H13NO/c1-2-6-12-7-5-9-8-10(13)3-4-11(9)12/h2-4,8,13H,1,5-7H2
InChIKeyDODJWJPRNSTNQF-UHFFFAOYSA-N
XLogP1.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-2,3-dihydroindol-5-ol?
The IUPAC name of 1-prop-2-enyl-2,3-dihydroindol-5-ol (CID 175212901) is 1-prop-2-enyl-2,3-dihydroindol-5-ol.
What is the SMILES notation for 1-prop-2-enyl-2,3-dihydroindol-5-ol?
The canonical SMILES for 1-prop-2-enyl-2,3-dihydroindol-5-ol is C=CCN1CCc2cc(O)ccc21.
What is the InChIKey of 1-prop-2-enyl-2,3-dihydroindol-5-ol?
The InChIKey is DODJWJPRNSTNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-6-12-7-5-9-8-10(13)3-4-11(9)12/h2-4,8,13H,1,5-7H2.
What are the key properties of 1-prop-2-enyl-2,3-dihydroindol-5-ol?
1-prop-2-enyl-2,3-dihydroindol-5-ol has a molecular weight of 175.23 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-2,3-dihydroindol-5-ol is sourced from PubChem (CID 175212901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).