(4-azidocyclohexyl) carbamate

C7H12N4O2 — CID 135185335

IUPAC(4-azidocyclohexyl) carbamate
SMILES[N-]=[N+]=NC1CCC(OC(N)=O)CC1
InChIInChI=1S/C7H12N4O2/c8-7(12)13-6-3-1-5(2-4-6)10-11-9/h5-6H,1-4H2,(H2,8,12)
InChIKeyLVPQHLYPCVPMMJ-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.70
Rot. Bonds2

About (4-azidocyclohexyl) carbamate

(4-azidocyclohexyl) carbamate (PubChem CID 135185335) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is (4-azidocyclohexyl) carbamate.

Molecular Properties

Compound Name(4-azidocyclohexyl) carbamate
PubChem CID135185335
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name(4-azidocyclohexyl) carbamate
SMILES[N-]=[N+]=NC1CCC(OC(N)=O)CC1
InChIInChI=1S/C7H12N4O2/c8-7(12)13-6-3-1-5(2-4-6)10-11-9/h5-6H,1-4H2,(H2,8,12)
InChIKeyLVPQHLYPCVPMMJ-UHFFFAOYSA-N
XLogP1.70
TPSA101.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-azidocyclohexyl) carbamate?
The IUPAC name of (4-azidocyclohexyl) carbamate (CID 135185335) is (4-azidocyclohexyl) carbamate.
What is the SMILES notation for (4-azidocyclohexyl) carbamate?
The canonical SMILES for (4-azidocyclohexyl) carbamate is [N-]=[N+]=NC1CCC(OC(N)=O)CC1.
What is the InChIKey of (4-azidocyclohexyl) carbamate?
The InChIKey is LVPQHLYPCVPMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c8-7(12)13-6-3-1-5(2-4-6)10-11-9/h5-6H,1-4H2,(H2,8,12).
What are the key properties of (4-azidocyclohexyl) carbamate?
(4-azidocyclohexyl) carbamate has a molecular weight of 184.20 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-azidocyclohexyl) carbamate is sourced from PubChem (CID 135185335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).