(1-amino-2,3-dihydroindol-4-yl)methanol

C9H12N2O — CID 121204170

IUPAC(1-amino-2,3-dihydroindol-4-yl)methanol
SMILESNN1CCc2c(CO)cccc21
InChIInChI=1S/C9H12N2O/c10-11-5-4-8-7(6-12)2-1-3-9(8)11/h1-3,12H,4-6,10H2
InChIKeyJECRXOHSJDFEKS-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.42
Rot. Bonds1

About (1-amino-2,3-dihydroindol-4-yl)methanol

(1-amino-2,3-dihydroindol-4-yl)methanol (PubChem CID 121204170) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (1-amino-2,3-dihydroindol-4-yl)methanol.

Molecular Properties

Compound Name(1-amino-2,3-dihydroindol-4-yl)methanol
PubChem CID121204170
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(1-amino-2,3-dihydroindol-4-yl)methanol
SMILESNN1CCc2c(CO)cccc21
InChIInChI=1S/C9H12N2O/c10-11-5-4-8-7(6-12)2-1-3-9(8)11/h1-3,12H,4-6,10H2
InChIKeyJECRXOHSJDFEKS-UHFFFAOYSA-N
XLogP0.42
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-propan-2-yl-2,3-dihydroindol-4-yl)methanol
CID 115114810
(1-cyclohexyl-2,3-dihydroindol-4-yl)methanol
CID 115115579
2-amino-1-[5-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 18321799
1-[4-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(methylamino)ethanone
CID 121204163
1-amino-2,3-dihydroindole-4-carbonitrile
CID 175227069
[8-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-methylborinic acid
CID 149245205
2,3-dihydroindol-1-amine;dihydrochloride
CID 172716948
2-(1-benzoyl-2,3-dihydroindol-4-yl)acetic acid
CID 58765445
(1-acetyl-2,3-dihydroindol-4-yl)methanesulfonyl chloride
CID 84713660
1-[4-[(1-aminocyclopropyl)methyl]-2,3-dihydroindol-1-yl]ethanone
CID 117332900
1-[5-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82506712
3-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 121204186

Frequently Asked Questions

What is the IUPAC name of (1-amino-2,3-dihydroindol-4-yl)methanol?
The IUPAC name of (1-amino-2,3-dihydroindol-4-yl)methanol (CID 121204170) is (1-amino-2,3-dihydroindol-4-yl)methanol.
What is the SMILES notation for (1-amino-2,3-dihydroindol-4-yl)methanol?
The canonical SMILES for (1-amino-2,3-dihydroindol-4-yl)methanol is NN1CCc2c(CO)cccc21.
What is the InChIKey of (1-amino-2,3-dihydroindol-4-yl)methanol?
The InChIKey is JECRXOHSJDFEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c10-11-5-4-8-7(6-12)2-1-3-9(8)11/h1-3,12H,4-6,10H2.
What are the key properties of (1-amino-2,3-dihydroindol-4-yl)methanol?
(1-amino-2,3-dihydroindol-4-yl)methanol has a molecular weight of 164.21 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2,3-dihydroindol-4-yl)methanol is sourced from PubChem (CID 121204170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).