1-(2-azidopropyl)-6-methoxy-2-methyl-4,5-dihydro-1H-indene

C14H19N3O — CID 57324523

IUPAC1-(2-azidopropyl)-6-methoxy-2-methyl-4,5-dihydro-1H-indene
SMILESCOC1=CC2=C(C=C(C)C2CC(C)N=[N+]=[N-])CC1
InChIInChI=1S/C14H19N3O/c1-9-6-11-4-5-12(18-3)8-14(11)13(9)7-10(2)16-17-15/h6,8,10,13H,4-5,7H2,1-3H3
InChIKeyQTPDSQGVARBEIR-UHFFFAOYSA-N
MW245.33 g/mol
LogP4.27
Rot. Bonds4

About 1-(2-azidopropyl)-6-methoxy-2-methyl-4,5-dihydro-1H-indene

1-(2-azidopropyl)-6-methoxy-2-methyl-4,5-dihydro-1H-indene (PubChem CID 57324523) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(2-azidopropyl)-6-methoxy-2-methyl-4,5-dihydro-1H-indene.

Molecular Properties

Compound Name1-(2-azidopropyl)-6-methoxy-2-methyl-4,5-dihydro-1H-indene
PubChem CID57324523
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(2-azidopropyl)-6-methoxy-2-methyl-4,5-dihydro-1H-indene
SMILESCOC1=CC2=C(C=C(C)C2CC(C)N=[N+]=[N-])CC1
InChIInChI=1S/C14H19N3O/c1-9-6-11-4-5-12(18-3)8-14(11)13(9)7-10(2)16-17-15/h6,8,10,13H,4-5,7H2,1-3H3
InChIKeyQTPDSQGVARBEIR-UHFFFAOYSA-N
XLogP4.27
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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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Frequently Asked Questions

What is the IUPAC name of 1-(2-azidopropyl)-6-methoxy-2-methyl-4,5-dihydro-1H-indene?
The IUPAC name of 1-(2-azidopropyl)-6-methoxy-2-methyl-4,5-dihydro-1H-indene (CID 57324523) is 1-(2-azidopropyl)-6-methoxy-2-methyl-4,5-dihydro-1H-indene.
What is the SMILES notation for 1-(2-azidopropyl)-6-methoxy-2-methyl-4,5-dihydro-1H-indene?
The canonical SMILES for 1-(2-azidopropyl)-6-methoxy-2-methyl-4,5-dihydro-1H-indene is COC1=CC2=C(C=C(C)C2CC(C)N=[N+]=[N-])CC1.
What is the InChIKey of 1-(2-azidopropyl)-6-methoxy-2-methyl-4,5-dihydro-1H-indene?
The InChIKey is QTPDSQGVARBEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9-6-11-4-5-12(18-3)8-14(11)13(9)7-10(2)16-17-15/h6,8,10,13H,4-5,7H2,1-3H3.
What are the key properties of 1-(2-azidopropyl)-6-methoxy-2-methyl-4,5-dihydro-1H-indene?
1-(2-azidopropyl)-6-methoxy-2-methyl-4,5-dihydro-1H-indene has a molecular weight of 245.33 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidopropyl)-6-methoxy-2-methyl-4,5-dihydro-1H-indene is sourced from PubChem (CID 57324523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).