methyl 1-(azidomethyl)cyclopropane-1-carboxylate

C6H9N3O2 — CID 129243283

IUPACmethyl 1-(azidomethyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(CN=[N+]=[N-])CC1
InChIInChI=1S/C6H9N3O2/c1-11-5(10)6(2-3-6)4-8-9-7/h2-4H2,1H3
InChIKeyAKMZJTZAMCFSPK-UHFFFAOYSA-N
MW155.16 g/mol
LogP1.25
Rot. Bonds3

About methyl 1-(azidomethyl)cyclopropane-1-carboxylate

methyl 1-(azidomethyl)cyclopropane-1-carboxylate (PubChem CID 129243283) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is methyl 1-(azidomethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(azidomethyl)cyclopropane-1-carboxylate
PubChem CID129243283
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Namemethyl 1-(azidomethyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(CN=[N+]=[N-])CC1
InChIInChI=1S/C6H9N3O2/c1-11-5(10)6(2-3-6)4-8-9-7/h2-4H2,1H3
InChIKeyAKMZJTZAMCFSPK-UHFFFAOYSA-N
XLogP1.25
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 51.25
H-Bond Donors ≤ 50
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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Related Compounds

methyl 1-(3-azidopropylamino)cyclopropane-1-carboxylate
CID 103439553
methyl 1-(2-azidoethylamino)-4,4-dimethylcyclohexane-1-carboxylate
CID 66191414
methyl 3-(2-azidoethylamino)-1-methylpyrrolidine-3-carboxylate
CID 66189618
methyl 1-(iodomethyl)cyclohexane-1-carboxylate
CID 58947958
methyl 4-(2-azidoethylamino)-1-propan-2-ylpiperidine-4-carboxylate
CID 66191601
methyl 1-(2-azidoethylamino)-4-tert-butylcyclohexane-1-carboxylate
CID 66191210
methyl 3-(3-azidopropylamino)-1,1-dioxothiolane-3-carboxylate
CID 66190501
methyl 1-[2-(azidomethyl)phenyl]cyclopropane-1-carboxylate
CID 175033611
ethyl 1-(azidomethyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 11435544
methyl 1-(2-azidoethylamino)-3,5-dimethylcyclohexane-1-carboxylate
CID 66189232
methyl 1-[2-(1-aminocyclopropyl)ethyl]cyclopropane-1-carboxylate
CID 105440618
methyl (1S,4R)-2-azido-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-carboxylate
CID 10911978

Frequently Asked Questions

What is the IUPAC name of methyl 1-(azidomethyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(azidomethyl)cyclopropane-1-carboxylate (CID 129243283) is methyl 1-(azidomethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(azidomethyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(azidomethyl)cyclopropane-1-carboxylate is COC(=O)C1(CN=[N+]=[N-])CC1.
What is the InChIKey of methyl 1-(azidomethyl)cyclopropane-1-carboxylate?
The InChIKey is AKMZJTZAMCFSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-11-5(10)6(2-3-6)4-8-9-7/h2-4H2,1H3.
What are the key properties of methyl 1-(azidomethyl)cyclopropane-1-carboxylate?
methyl 1-(azidomethyl)cyclopropane-1-carboxylate has a molecular weight of 155.16 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(azidomethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 129243283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).