(2R)-2-azido-3-methylidene-1,2,6,7-tetrahydroindene

C10H11N3 — CID 89129566

IUPAC(2R)-2-azido-3-methylidene-1,2,6,7-tetrahydroindene
SMILESC=C1C2=C(CCC=C2)C[C@H]1N=[N+]=[N-]
InChIInChI=1S/C10H11N3/c1-7-9-5-3-2-4-8(9)6-10(7)12-13-11/h3,5,10H,1-2,4,6H2/t10-/m1/s1
InChIKeyKTYBCORRFHRWLG-SNVBAGLBSA-N
MW173.22 g/mol
LogP3.27
Rot. Bonds1

About (2R)-2-azido-3-methylidene-1,2,6,7-tetrahydroindene

(2R)-2-azido-3-methylidene-1,2,6,7-tetrahydroindene (PubChem CID 89129566) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is (2R)-2-azido-3-methylidene-1,2,6,7-tetrahydroindene.

Molecular Properties

Compound Name(2R)-2-azido-3-methylidene-1,2,6,7-tetrahydroindene
PubChem CID89129566
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name(2R)-2-azido-3-methylidene-1,2,6,7-tetrahydroindene
SMILESC=C1C2=C(CCC=C2)C[C@H]1N=[N+]=[N-]
InChIInChI=1S/C10H11N3/c1-7-9-5-3-2-4-8(9)6-10(7)12-13-11/h3,5,10H,1-2,4,6H2/t10-/m1/s1
InChIKeyKTYBCORRFHRWLG-SNVBAGLBSA-N
XLogP3.27
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2R)-2-azido-3-methylidene-1,2,6,7-tetrahydroindene?
The IUPAC name of (2R)-2-azido-3-methylidene-1,2,6,7-tetrahydroindene (CID 89129566) is (2R)-2-azido-3-methylidene-1,2,6,7-tetrahydroindene.
What is the SMILES notation for (2R)-2-azido-3-methylidene-1,2,6,7-tetrahydroindene?
The canonical SMILES for (2R)-2-azido-3-methylidene-1,2,6,7-tetrahydroindene is C=C1C2=C(CCC=C2)C[C@H]1N=[N+]=[N-].
What is the InChIKey of (2R)-2-azido-3-methylidene-1,2,6,7-tetrahydroindene?
The InChIKey is KTYBCORRFHRWLG-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H11N3/c1-7-9-5-3-2-4-8(9)6-10(7)12-13-11/h3,5,10H,1-2,4,6H2/t10-/m1/s1.
What are the key properties of (2R)-2-azido-3-methylidene-1,2,6,7-tetrahydroindene?
(2R)-2-azido-3-methylidene-1,2,6,7-tetrahydroindene has a molecular weight of 173.22 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-azido-3-methylidene-1,2,6,7-tetrahydroindene is sourced from PubChem (CID 89129566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).