(3S)-3-(aminomethyl)-2,3-dihydro-1H-indol-5-ol

C9H12N2O — CID 162994434

IUPAC(3S)-3-(aminomethyl)-2,3-dihydro-1H-indol-5-ol
SMILESNC[C@H]1CNc2ccc(O)cc21
InChIInChI=1S/C9H12N2O/c10-4-6-5-11-9-2-1-7(12)3-8(6)9/h1-3,6,11-12H,4-5,10H2/t6-/m0/s1
InChIKeyIODUMQSUUADSTG-LURJTMIESA-N
MW164.21 g/mol
LogP0.86
Rot. Bonds1

About (3S)-3-(aminomethyl)-2,3-dihydro-1H-indol-5-ol

(3S)-3-(aminomethyl)-2,3-dihydro-1H-indol-5-ol (PubChem CID 162994434) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (3S)-3-(aminomethyl)-2,3-dihydro-1H-indol-5-ol.

Molecular Properties

Compound Name(3S)-3-(aminomethyl)-2,3-dihydro-1H-indol-5-ol
PubChem CID162994434
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(3S)-3-(aminomethyl)-2,3-dihydro-1H-indol-5-ol
SMILESNC[C@H]1CNc2ccc(O)cc21
InChIInChI=1S/C9H12N2O/c10-4-6-5-11-9-2-1-7(12)3-8(6)9/h1-3,6,11-12H,4-5,10H2/t6-/m0/s1
InChIKeyIODUMQSUUADSTG-LURJTMIESA-N
XLogP0.86
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(aminomethyl)-2,3-dihydro-1H-indol-5-ol?
The IUPAC name of (3S)-3-(aminomethyl)-2,3-dihydro-1H-indol-5-ol (CID 162994434) is (3S)-3-(aminomethyl)-2,3-dihydro-1H-indol-5-ol.
What is the SMILES notation for (3S)-3-(aminomethyl)-2,3-dihydro-1H-indol-5-ol?
The canonical SMILES for (3S)-3-(aminomethyl)-2,3-dihydro-1H-indol-5-ol is NC[C@H]1CNc2ccc(O)cc21.
What is the InChIKey of (3S)-3-(aminomethyl)-2,3-dihydro-1H-indol-5-ol?
The InChIKey is IODUMQSUUADSTG-LURJTMIESA-N. The full InChI is InChI=1S/C9H12N2O/c10-4-6-5-11-9-2-1-7(12)3-8(6)9/h1-3,6,11-12H,4-5,10H2/t6-/m0/s1.
What are the key properties of (3S)-3-(aminomethyl)-2,3-dihydro-1H-indol-5-ol?
(3S)-3-(aminomethyl)-2,3-dihydro-1H-indol-5-ol has a molecular weight of 164.21 g/mol, XLogP of 0.86, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(aminomethyl)-2,3-dihydro-1H-indol-5-ol is sourced from PubChem (CID 162994434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).