(1R)-1-amino-2,3-dihydroinden-1-ol

C9H11NO — CID 21032378

IUPAC(1R)-1-amino-2,3-dihydroinden-1-ol
SMILESN[C@@]1(O)CCc2ccccc21
InChIInChI=1S/C9H11NO/c10-9(11)6-5-7-3-1-2-4-8(7)9/h1-4,11H,5-6,10H2/t9-/m1/s1
InChIKeyHDXFCPZKMFTOLH-SECBINFHSA-N
MW149.19 g/mol
LogP0.74
Rot. Bonds

About (1R)-1-amino-2,3-dihydroinden-1-ol

(1R)-1-amino-2,3-dihydroinden-1-ol (PubChem CID 21032378) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is (1R)-1-amino-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name(1R)-1-amino-2,3-dihydroinden-1-ol
PubChem CID21032378
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name(1R)-1-amino-2,3-dihydroinden-1-ol
SMILESN[C@@]1(O)CCc2ccccc21
InChIInChI=1S/C9H11NO/c10-9(11)6-5-7-3-1-2-4-8(7)9/h1-4,11H,5-6,10H2/t9-/m1/s1
InChIKeyHDXFCPZKMFTOLH-SECBINFHSA-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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Frequently Asked Questions

What is the IUPAC name of (1R)-1-amino-2,3-dihydroinden-1-ol?
The IUPAC name of (1R)-1-amino-2,3-dihydroinden-1-ol (CID 21032378) is (1R)-1-amino-2,3-dihydroinden-1-ol.
What is the SMILES notation for (1R)-1-amino-2,3-dihydroinden-1-ol?
The canonical SMILES for (1R)-1-amino-2,3-dihydroinden-1-ol is N[C@@]1(O)CCc2ccccc21.
What is the InChIKey of (1R)-1-amino-2,3-dihydroinden-1-ol?
The InChIKey is HDXFCPZKMFTOLH-SECBINFHSA-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/t9-/m1/s1.
What are the key properties of (1R)-1-amino-2,3-dihydroinden-1-ol?
(1R)-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 (1R)-1-amino-2,3-dihydroinden-1-ol is sourced from PubChem (CID 21032378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).