(1R)-1-azido-4-methyl-1,2,3,4-tetrahydronaphthalene

C11H13N3 — CID 104853457

IUPAC(1R)-1-azido-4-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCC1CC[C@@H](N=[N+]=[N-])c2ccccc21
InChIInChI=1S/C11H13N3/c1-8-6-7-11(13-14-12)10-5-3-2-4-9(8)10/h2-5,8,11H,6-7H2,1H3/t8?,11-/m1/s1
InChIKeyMKQSQALMKUQLCF-QHDYGNBISA-N
MW187.25 g/mol
LogP3.94
Rot. Bonds1

About (1R)-1-azido-4-methyl-1,2,3,4-tetrahydronaphthalene

(1R)-1-azido-4-methyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 104853457) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is (1R)-1-azido-4-methyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(1R)-1-azido-4-methyl-1,2,3,4-tetrahydronaphthalene
PubChem CID104853457
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name(1R)-1-azido-4-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCC1CC[C@@H](N=[N+]=[N-])c2ccccc21
InChIInChI=1S/C11H13N3/c1-8-6-7-11(13-14-12)10-5-3-2-4-9(8)10/h2-5,8,11H,6-7H2,1H3/t8?,11-/m1/s1
InChIKeyMKQSQALMKUQLCF-QHDYGNBISA-N
XLogP3.94
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 53.94
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 (1R)-1-azido-4-methyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (1R)-1-azido-4-methyl-1,2,3,4-tetrahydronaphthalene (CID 104853457) is (1R)-1-azido-4-methyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (1R)-1-azido-4-methyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (1R)-1-azido-4-methyl-1,2,3,4-tetrahydronaphthalene is CC1CC[C@@H](N=[N+]=[N-])c2ccccc21.
What is the InChIKey of (1R)-1-azido-4-methyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is MKQSQALMKUQLCF-QHDYGNBISA-N. The full InChI is InChI=1S/C11H13N3/c1-8-6-7-11(13-14-12)10-5-3-2-4-9(8)10/h2-5,8,11H,6-7H2,1H3/t8?,11-/m1/s1.
What are the key properties of (1R)-1-azido-4-methyl-1,2,3,4-tetrahydronaphthalene?
(1R)-1-azido-4-methyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 187.25 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-azido-4-methyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 104853457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).