2-azido-1-methoxy-2,3-dihydro-1H-indene

C10H11N3O — CID 59474407

IUPAC2-azido-1-methoxy-2,3-dihydro-1H-indene
SMILESCOC1c2ccccc2CC1N=[N+]=[N-]
InChIInChI=1S/C10H11N3O/c1-14-10-8-5-3-2-4-7(8)6-9(10)12-13-11/h2-5,9-10H,6H2,1H3
InChIKeyLBHYMRRXWFGUKO-UHFFFAOYSA-N
MW189.22 g/mol
LogP2.61
Rot. Bonds2

About 2-azido-1-methoxy-2,3-dihydro-1H-indene

2-azido-1-methoxy-2,3-dihydro-1H-indene (PubChem CID 59474407) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-azido-1-methoxy-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name2-azido-1-methoxy-2,3-dihydro-1H-indene
PubChem CID59474407
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-azido-1-methoxy-2,3-dihydro-1H-indene
SMILESCOC1c2ccccc2CC1N=[N+]=[N-]
InChIInChI=1S/C10H11N3O/c1-14-10-8-5-3-2-4-7(8)6-9(10)12-13-11/h2-5,9-10H,6H2,1H3
InChIKeyLBHYMRRXWFGUKO-UHFFFAOYSA-N
XLogP2.61
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 52.61
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 2-azido-1-methoxy-2,3-dihydro-1H-indene?
The IUPAC name of 2-azido-1-methoxy-2,3-dihydro-1H-indene (CID 59474407) is 2-azido-1-methoxy-2,3-dihydro-1H-indene.
What is the SMILES notation for 2-azido-1-methoxy-2,3-dihydro-1H-indene?
The canonical SMILES for 2-azido-1-methoxy-2,3-dihydro-1H-indene is COC1c2ccccc2CC1N=[N+]=[N-].
What is the InChIKey of 2-azido-1-methoxy-2,3-dihydro-1H-indene?
The InChIKey is LBHYMRRXWFGUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-14-10-8-5-3-2-4-7(8)6-9(10)12-13-11/h2-5,9-10H,6H2,1H3.
What are the key properties of 2-azido-1-methoxy-2,3-dihydro-1H-indene?
2-azido-1-methoxy-2,3-dihydro-1H-indene has a molecular weight of 189.22 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-methoxy-2,3-dihydro-1H-indene is sourced from PubChem (CID 59474407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).