4-(azidomethyl)cyclohexan-1-one

C7H11N3O — CID 151735095

IUPAC4-(azidomethyl)cyclohexan-1-one
SMILES[N-]=[N+]=NCC1CCC(=O)CC1
InChIInChI=1S/C7H11N3O/c8-10-9-5-6-1-3-7(11)4-2-6/h6H,1-5H2
InChIKeyRLJAYCTWUSQWRY-UHFFFAOYSA-N
MW153.18 g/mol
LogP2.06
Rot. Bonds2

About 4-(azidomethyl)cyclohexan-1-one

4-(azidomethyl)cyclohexan-1-one (PubChem CID 151735095) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 4-(azidomethyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(azidomethyl)cyclohexan-1-one
PubChem CID151735095
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name4-(azidomethyl)cyclohexan-1-one
SMILES[N-]=[N+]=NCC1CCC(=O)CC1
InChIInChI=1S/C7H11N3O/c8-10-9-5-6-1-3-7(11)4-2-6/h6H,1-5H2
InChIKeyRLJAYCTWUSQWRY-UHFFFAOYSA-N
XLogP2.06
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 52.06
H-Bond Donors ≤ 50
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)cyclohexan-1-one?
The IUPAC name of 4-(azidomethyl)cyclohexan-1-one (CID 151735095) is 4-(azidomethyl)cyclohexan-1-one.
What is the SMILES notation for 4-(azidomethyl)cyclohexan-1-one?
The canonical SMILES for 4-(azidomethyl)cyclohexan-1-one is [N-]=[N+]=NCC1CCC(=O)CC1.
What is the InChIKey of 4-(azidomethyl)cyclohexan-1-one?
The InChIKey is RLJAYCTWUSQWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c8-10-9-5-6-1-3-7(11)4-2-6/h6H,1-5H2.
What are the key properties of 4-(azidomethyl)cyclohexan-1-one?
4-(azidomethyl)cyclohexan-1-one has a molecular weight of 153.18 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)cyclohexan-1-one is sourced from PubChem (CID 151735095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).