1-(azidomethyl)cycloheptan-1-ol

C8H15N3O — CID 12576349

IUPAC1-(azidomethyl)cycloheptan-1-ol
SMILES[N-]=[N+]=NCC1(O)CCCCCC1
InChIInChI=1S/C8H15N3O/c9-11-10-7-8(12)5-3-1-2-4-6-8/h12H,1-7H2
InChIKeyBDCLNCAKTALBTF-UHFFFAOYSA-N
MW169.23 g/mol
LogP2.38
Rot. Bonds2

About 1-(azidomethyl)cycloheptan-1-ol

1-(azidomethyl)cycloheptan-1-ol (PubChem CID 12576349) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-(azidomethyl)cycloheptan-1-ol.

Molecular Properties

Compound Name1-(azidomethyl)cycloheptan-1-ol
PubChem CID12576349
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-(azidomethyl)cycloheptan-1-ol
SMILES[N-]=[N+]=NCC1(O)CCCCCC1
InChIInChI=1S/C8H15N3O/c9-11-10-7-8(12)5-3-1-2-4-6-8/h12H,1-7H2
InChIKeyBDCLNCAKTALBTF-UHFFFAOYSA-N
XLogP2.38
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
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'}

Analyze 1-(azidomethyl)cycloheptan-1-ol 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 1-(azidomethyl)cycloheptan-1-ol?
The IUPAC name of 1-(azidomethyl)cycloheptan-1-ol (CID 12576349) is 1-(azidomethyl)cycloheptan-1-ol.
What is the SMILES notation for 1-(azidomethyl)cycloheptan-1-ol?
The canonical SMILES for 1-(azidomethyl)cycloheptan-1-ol is [N-]=[N+]=NCC1(O)CCCCCC1.
What is the InChIKey of 1-(azidomethyl)cycloheptan-1-ol?
The InChIKey is BDCLNCAKTALBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c9-11-10-7-8(12)5-3-1-2-4-6-8/h12H,1-7H2.
What are the key properties of 1-(azidomethyl)cycloheptan-1-ol?
1-(azidomethyl)cycloheptan-1-ol has a molecular weight of 169.23 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azidomethyl)cycloheptan-1-ol is sourced from PubChem (CID 12576349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).