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

C10H9N3O — CID 56947687

IUPAC1-azido-2,3-dihydro-1H-indene-5-carbaldehyde
SMILES[N-]=[N+]=NC1CCc2cc(C=O)ccc21
InChIInChI=1S/C10H9N3O/c11-13-12-10-4-2-8-5-7(6-14)1-3-9(8)10/h1,3,5-6,10H,2,4H2
InChIKeyAXATYMZLOUGWJW-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.80
Rot. Bonds2

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

1-azido-2,3-dihydro-1H-indene-5-carbaldehyde (PubChem CID 56947687) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 1-azido-2,3-dihydro-1H-indene-5-carbaldehyde.

Molecular Properties

Compound Name1-azido-2,3-dihydro-1H-indene-5-carbaldehyde
PubChem CID56947687
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name1-azido-2,3-dihydro-1H-indene-5-carbaldehyde
SMILES[N-]=[N+]=NC1CCc2cc(C=O)ccc21
InChIInChI=1S/C10H9N3O/c11-13-12-10-4-2-8-5-7(6-14)1-3-9(8)10/h1,3,5-6,10H,2,4H2
InChIKeyAXATYMZLOUGWJW-UHFFFAOYSA-N
XLogP2.80
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-azido-2,3-dihydro-1H-indene
CID 89202215
1-amino-2,3-dihydro-1H-indene-5-carbaldehyde
CID 56947686
1-azido-6-bromo-1,2,3,4-tetrahydronaphthalene;6-bromo-1-chloro-1,2,3,4-tetrahydronaphthalene
CID 165081411
1-[[(5R)-5-azido-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidine
CID 86604857
2-azido-6-isocyano-3,4-dihydro-2H-naphthalen-1-one
CID 123919970
6-bromo-5-oxo-7,8-dihydro-6H-naphthalene-2-carbaldehyde
CID 87174399
3-propan-2-yl-2,3-dihydro-1H-indene-5-carbaldehyde
CID 167441479
4-amino-N-[(1S)-5-formyl-2,3-dihydro-1H-inden-1-yl]-2,3-bis(methylimino)pent-4-enamide
CID 143341954
tricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene-6-carbaldehyde
CID 101344698
6-benzyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
CID 14155579
1-(cyclopropylmethyl)-2,3-dihydroindole-6-carbaldehyde
CID 115105849
(3S)-3-azido-8-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 129405726

Frequently Asked Questions

What is the IUPAC name of 1-azido-2,3-dihydro-1H-indene-5-carbaldehyde?
The IUPAC name of 1-azido-2,3-dihydro-1H-indene-5-carbaldehyde (CID 56947687) is 1-azido-2,3-dihydro-1H-indene-5-carbaldehyde.
What is the SMILES notation for 1-azido-2,3-dihydro-1H-indene-5-carbaldehyde?
The canonical SMILES for 1-azido-2,3-dihydro-1H-indene-5-carbaldehyde is [N-]=[N+]=NC1CCc2cc(C=O)ccc21.
What is the InChIKey of 1-azido-2,3-dihydro-1H-indene-5-carbaldehyde?
The InChIKey is AXATYMZLOUGWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c11-13-12-10-4-2-8-5-7(6-14)1-3-9(8)10/h1,3,5-6,10H,2,4H2.
What are the key properties of 1-azido-2,3-dihydro-1H-indene-5-carbaldehyde?
1-azido-2,3-dihydro-1H-indene-5-carbaldehyde has a molecular weight of 187.20 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2,3-dihydro-1H-indene-5-carbaldehyde is sourced from PubChem (CID 56947687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).