2,3-dihydro-1H-indole;hydrate

C8H11NO — CID 156630724

IUPAC2,3-dihydro-1H-indole;hydrate
SMILESO.c1ccc2c(c1)CCN2
InChIInChI=1S/C8H9N.H2O/c1-2-4-8-7(3-1)5-6-9-8;/h1-4,9H,5-6H2;1H2
InChIKeyOWGVPFZNHFYECJ-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.83
Rot. Bonds

About 2,3-dihydro-1H-indole;hydrate

2,3-dihydro-1H-indole;hydrate (PubChem CID 156630724) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2,3-dihydro-1H-indole;hydrate.

Molecular Properties

Compound Name2,3-dihydro-1H-indole;hydrate
PubChem CID156630724
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2,3-dihydro-1H-indole;hydrate
SMILESO.c1ccc2c(c1)CCN2
InChIInChI=1S/C8H9N.H2O/c1-2-4-8-7(3-1)5-6-9-8;/h1-4,9H,5-6H2;1H2
InChIKeyOWGVPFZNHFYECJ-UHFFFAOYSA-N
XLogP0.83
TPSA43.53 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3-methylaniline
CID 7603
Indoline
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Benzylaniline
CID 66028
1-(2,3-Dihydro-1H-indol-1-yl)ethan-1-one
CID 27673
1,3,3-Trimethyl-2-methyleneindoline
CID 8351
1,2,3,4-Tetrahydroquinoline
CID 69460
2-Methylindoline
CID 23305
2,N-Dimethylaniline
CID 69137
Benzenamine, N-ethyl-2-methyl-
CID 7201
2-Indolinethione
CID 3032310
5-Nitroindoline
CID 36219
N-Ethyl-p-toluidine
CID 61164

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indole;hydrate?
The IUPAC name of 2,3-dihydro-1H-indole;hydrate (CID 156630724) is 2,3-dihydro-1H-indole;hydrate.
What is the SMILES notation for 2,3-dihydro-1H-indole;hydrate?
The canonical SMILES for 2,3-dihydro-1H-indole;hydrate is O.c1ccc2c(c1)CCN2.
What is the InChIKey of 2,3-dihydro-1H-indole;hydrate?
The InChIKey is OWGVPFZNHFYECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.H2O/c1-2-4-8-7(3-1)5-6-9-8;/h1-4,9H,5-6H2;1H2.
What are the key properties of 2,3-dihydro-1H-indole;hydrate?
2,3-dihydro-1H-indole;hydrate has a molecular weight of 137.18 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indole;hydrate is sourced from PubChem (CID 156630724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).