3-azido-1,2-dimethylcyclohexene

C8H13N3 — CID 90775284

IUPAC3-azido-1,2-dimethylcyclohexene
SMILESCC1=C(C)C(N=[N+]=[N-])CCC1
InChIInChI=1S/C8H13N3/c1-6-4-3-5-8(7(6)2)10-11-9/h8H,3-5H2,1-2H3
InChIKeyQDOHFQVIWSWNNP-UHFFFAOYSA-N
MW151.21 g/mol
LogP3.19
Rot. Bonds1

About 3-azido-1,2-dimethylcyclohexene

3-azido-1,2-dimethylcyclohexene (PubChem CID 90775284) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-azido-1,2-dimethylcyclohexene.

Molecular Properties

Compound Name3-azido-1,2-dimethylcyclohexene
PubChem CID90775284
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name3-azido-1,2-dimethylcyclohexene
SMILESCC1=C(C)C(N=[N+]=[N-])CCC1
InChIInChI=1S/C8H13N3/c1-6-4-3-5-8(7(6)2)10-11-9/h8H,3-5H2,1-2H3
InChIKeyQDOHFQVIWSWNNP-UHFFFAOYSA-N
XLogP3.19
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 53.19
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-Azido-1-methylcyclohex-1-ene
CID 11073491
1-(Azidomethyl)-2-methylcyclohexene
CID 18621671
1-(Azidomethyl)-2-butylcyclopentene
CID 18621681
1-(Azidomethyl)-2-ethylcyclohexene
CID 18621686
3-Azido-1-ethyl-cyclohexene
CID 86623795
6-Azido-1-ethylcyclohexene
CID 90971042
6-Azido-1-methylcyclohex-1-ene
CID 91419492
3,4,6,7,8,8a-Hexahydrocinnoline
CID 91804155
4-Isocyano-1,2-dimethylcyclohexene
CID 123764505
3-methyl-5,6,7,7a-tetrahydro-3H-indazole
CID 123939730
(1-Methyl-1,4,5,6,7,8,9,10,11,12-decahydrocyclodeca[d]pyridazin-4-yl)phosphane
CID 129274909
1-(1-Azidoethyl)-2-ethynylcyclohexene
CID 12356909

Frequently Asked Questions

What is the IUPAC name of 3-azido-1,2-dimethylcyclohexene?
The IUPAC name of 3-azido-1,2-dimethylcyclohexene (CID 90775284) is 3-azido-1,2-dimethylcyclohexene.
What is the SMILES notation for 3-azido-1,2-dimethylcyclohexene?
The canonical SMILES for 3-azido-1,2-dimethylcyclohexene is CC1=C(C)C(N=[N+]=[N-])CCC1.
What is the InChIKey of 3-azido-1,2-dimethylcyclohexene?
The InChIKey is QDOHFQVIWSWNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-6-4-3-5-8(7(6)2)10-11-9/h8H,3-5H2,1-2H3.
What are the key properties of 3-azido-1,2-dimethylcyclohexene?
3-azido-1,2-dimethylcyclohexene has a molecular weight of 151.21 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-1,2-dimethylcyclohexene is sourced from PubChem (CID 90775284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).