2-azido-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]

C12H19N3 — CID 71271431

IUPAC2-azido-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]
SMILESCC1(N=[N+]=[N-])C2CCC(C2)C12CCCC2
InChIInChI=1S/C12H19N3/c1-11(14-15-13)9-4-5-10(8-9)12(11)6-2-3-7-12/h9-10H,2-8H2,1H3
InChIKeyCLTWINJLIRDFKI-UHFFFAOYSA-N
MW205.30 g/mol
LogP4.05
Rot. Bonds1

About 2-azido-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]

2-azido-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane] (PubChem CID 71271431) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-azido-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane].

Molecular Properties

Compound Name2-azido-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]
PubChem CID71271431
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name2-azido-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]
SMILESCC1(N=[N+]=[N-])C2CCC(C2)C12CCCC2
InChIInChI=1S/C12H19N3/c1-11(14-15-13)9-4-5-10(8-9)12(11)6-2-3-7-12/h9-10H,2-8H2,1H3
InChIKeyCLTWINJLIRDFKI-UHFFFAOYSA-N
XLogP4.05
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 54.05
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'}

Analyze 2-azido-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-azido-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]?
The IUPAC name of 2-azido-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane] (CID 71271431) is 2-azido-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane].
What is the SMILES notation for 2-azido-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]?
The canonical SMILES for 2-azido-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane] is CC1(N=[N+]=[N-])C2CCC(C2)C12CCCC2.
What is the InChIKey of 2-azido-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]?
The InChIKey is CLTWINJLIRDFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-11(14-15-13)9-4-5-10(8-9)12(11)6-2-3-7-12/h9-10H,2-8H2,1H3.
What are the key properties of 2-azido-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]?
2-azido-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane] has a molecular weight of 205.30 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane] is sourced from PubChem (CID 71271431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).