1-amino-2,3-dihydroinden-1-ol

C9H11NO — CID 19357388

IUPAC1-amino-2,3-dihydroinden-1-ol
SMILESNC1(O)CCc2ccccc21
InChIInChI=1S/C9H11NO/c10-9(11)6-5-7-3-1-2-4-8(7)9/h1-4,11H,5-6,10H2
InChIKeyHDXFCPZKMFTOLH-UHFFFAOYSA-N
MW149.19 g/mol
LogP0.74
Rot. Bonds

About 1-amino-2,3-dihydroinden-1-ol

1-amino-2,3-dihydroinden-1-ol (PubChem CID 19357388) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 1-amino-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-amino-2,3-dihydroinden-1-ol
PubChem CID19357388
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name1-amino-2,3-dihydroinden-1-ol
SMILESNC1(O)CCc2ccccc21
InChIInChI=1S/C9H11NO/c10-9(11)6-5-7-3-1-2-4-8(7)9/h1-4,11H,5-6,10H2
InChIKeyHDXFCPZKMFTOLH-UHFFFAOYSA-N
XLogP0.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)-2,3-dihydro-1H-inden-1-ol
CID 14348695
3-amino-2,3-dihydro-1H-inden-1-ol
CID 9855521
(1R,2R)-2-Amino-2,3-dihydro-1H-inden-1-ol
CID 10898857
2-Aminoindan-1-ol
CID 85794
rac-(1R,2S)-2-amino-2,3-dihydro-1H-inden-1-ol
CID 11008081
(1S,2S)-2-Amino-2,3-dihydro-1H-inden-1-ol
CID 11137330
rac-(1R,3S)-3-amino-2,3-dihydro-1H-inden-1-ol hydrochloride
CID 154878828
(1R,2S)-2-amino-2,3-dihydro-1H-inden-1-ol
CID 11205854
(1S,3S)-3-Amino-2,3-dihydro-1H-inden-1-ol
CID 12013033
(1R,3S)-3-Amino-2,3-dihydro-1H-inden-1-ol
CID 12013035
Aminophenylethanol
CID 13388400
(1Rs)-3-methyl-amino-1-phenylpropan-1-ol
CID 17772148

Frequently Asked Questions

What is the IUPAC name of 1-amino-2,3-dihydroinden-1-ol?
The IUPAC name of 1-amino-2,3-dihydroinden-1-ol (CID 19357388) is 1-amino-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-amino-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-amino-2,3-dihydroinden-1-ol is NC1(O)CCc2ccccc21.
What is the InChIKey of 1-amino-2,3-dihydroinden-1-ol?
The InChIKey is HDXFCPZKMFTOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c10-9(11)6-5-7-3-1-2-4-8(7)9/h1-4,11H,5-6,10H2.
What are the key properties of 1-amino-2,3-dihydroinden-1-ol?
1-amino-2,3-dihydroinden-1-ol has a molecular weight of 149.19 g/mol, XLogP of 0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,3-dihydroinden-1-ol is sourced from PubChem (CID 19357388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).