3-(2,3-dihydroindol-1-yl)propan-1-ol;hydrochloride

C11H16ClNO — CID 130247630

IUPAC3-(2,3-dihydroindol-1-yl)propan-1-ol;hydrochloride
SMILESCl.OCCCN1CCc2ccccc21
InChIInChI=1S/C11H15NO.ClH/c13-9-3-7-12-8-6-10-4-1-2-5-11(10)12;/h1-2,4-5,13H,3,6-9H2;1H
InChIKeyFDZSIEHPBLEJEX-UHFFFAOYSA-N
MW213.71 g/mol
LogP1.85
Rot. Bonds3

About 3-(2,3-dihydroindol-1-yl)propan-1-ol;hydrochloride

3-(2,3-dihydroindol-1-yl)propan-1-ol;hydrochloride (PubChem CID 130247630) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)propan-1-ol;hydrochloride
PubChem CID130247630
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name3-(2,3-dihydroindol-1-yl)propan-1-ol;hydrochloride
SMILESCl.OCCCN1CCc2ccccc21
InChIInChI=1S/C11H15NO.ClH/c13-9-3-7-12-8-6-10-4-1-2-5-11(10)12;/h1-2,4-5,13H,3,6-9H2;1H
InChIKeyFDZSIEHPBLEJEX-UHFFFAOYSA-N
XLogP1.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-Dihydro-1H-indol-1-yl)ethan-1-one
CID 27673
1-Methyl-2,3-dihydro-1H-indole
CID 55830
2,2'-((2-Methylphenyl)imino)bisethanol
CID 96723
3-(2,3-Dihydro-1H-indol-1-yl)propanoic acid
CID 647211
2-(2,3-dihydroindol-1-yl)-N,N-dimethylethanamine
CID 744368
1H-Indole, 2,3-dihydro-1-(trifluoromethyl)-
CID 10877857
N-Formylindoline
CID 576501
1,2-Dimethylindoline
CID 583485
1-(prop-2-yn-1-yl)-2,3-dihydro-1H-indole
CID 10888169
Methyl 3-(2,3-dihydroindol-1-yl)propanoate;hydrochloride
CID 130248626
2,3-dihydro-1H-indol-1-ylacetonitrile
CID 12424665
1-Ethyl-3,3-dimethyl-2-methylidene-2,3-dihydro-1H-indole
CID 12524872

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)propan-1-ol;hydrochloride?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)propan-1-ol;hydrochloride (CID 130247630) is 3-(2,3-dihydroindol-1-yl)propan-1-ol;hydrochloride.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)propan-1-ol;hydrochloride?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)propan-1-ol;hydrochloride is Cl.OCCCN1CCc2ccccc21.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)propan-1-ol;hydrochloride?
The InChIKey is FDZSIEHPBLEJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c13-9-3-7-12-8-6-10-4-1-2-5-11(10)12;/h1-2,4-5,13H,3,6-9H2;1H.
What are the key properties of 3-(2,3-dihydroindol-1-yl)propan-1-ol;hydrochloride?
3-(2,3-dihydroindol-1-yl)propan-1-ol;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)propan-1-ol;hydrochloride is sourced from PubChem (CID 130247630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).