1-amino-2,3-dihydro-1H-indene-5-carbaldehyde

C10H11NO — CID 56947686

IUPAC1-amino-2,3-dihydro-1H-indene-5-carbaldehyde
SMILESNC1CCc2cc(C=O)ccc21
InChIInChI=1S/C10H11NO/c11-10-4-2-8-5-7(6-12)1-3-9(8)10/h1,3,5-6,10H,2,4,11H2
InChIKeyUJQOALWGTHEKJS-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.45
Rot. Bonds1

About 1-amino-2,3-dihydro-1H-indene-5-carbaldehyde

1-amino-2,3-dihydro-1H-indene-5-carbaldehyde (PubChem CID 56947686) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-amino-2,3-dihydro-1H-indene-5-carbaldehyde.

Molecular Properties

Compound Name1-amino-2,3-dihydro-1H-indene-5-carbaldehyde
PubChem CID56947686
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name1-amino-2,3-dihydro-1H-indene-5-carbaldehyde
SMILESNC1CCc2cc(C=O)ccc21
InChIInChI=1S/C10H11NO/c11-10-4-2-8-5-7(6-12)1-3-9(8)10/h1,3,5-6,10H,2,4,11H2
InChIKeyUJQOALWGTHEKJS-UHFFFAOYSA-N
XLogP1.45
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2,3-dihydro-1H-indene-5-carbaldehyde?
The IUPAC name of 1-amino-2,3-dihydro-1H-indene-5-carbaldehyde (CID 56947686) is 1-amino-2,3-dihydro-1H-indene-5-carbaldehyde.
What is the SMILES notation for 1-amino-2,3-dihydro-1H-indene-5-carbaldehyde?
The canonical SMILES for 1-amino-2,3-dihydro-1H-indene-5-carbaldehyde is NC1CCc2cc(C=O)ccc21.
What is the InChIKey of 1-amino-2,3-dihydro-1H-indene-5-carbaldehyde?
The InChIKey is UJQOALWGTHEKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c11-10-4-2-8-5-7(6-12)1-3-9(8)10/h1,3,5-6,10H,2,4,11H2.
What are the key properties of 1-amino-2,3-dihydro-1H-indene-5-carbaldehyde?
1-amino-2,3-dihydro-1H-indene-5-carbaldehyde has a molecular weight of 161.20 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,3-dihydro-1H-indene-5-carbaldehyde is sourced from PubChem (CID 56947686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).