lithium 2-(3-azidocyclobutyl)cyclopropane-1-carboxylate

C8H10LiN3O2 — CID 154814336

IUPAClithium 2-(3-azidocyclobutyl)cyclopropane-1-carboxylate
SMILES[Li+].[N-]=[N+]=NC1CC(C2CC2C(=O)[O-])C1
InChIInChI=1S/C8H11N3O2.Li/c9-11-10-5-1-4(2-5)6-3-7(6)8(12)13;/h4-7H,1-3H2,(H,12,13);/q;+1/p-1
InChIKeyAVLMHYMUOKTFJG-UHFFFAOYSA-M
MW187.13 g/mol
LogP-2.53
Rot. Bonds3

About lithium 2-(3-azidocyclobutyl)cyclopropane-1-carboxylate

lithium 2-(3-azidocyclobutyl)cyclopropane-1-carboxylate (PubChem CID 154814336) has the molecular formula C8H10LiN3O2 and a molecular weight of 187.13 g/mol. Its IUPAC name is lithium 2-(3-azidocyclobutyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namelithium 2-(3-azidocyclobutyl)cyclopropane-1-carboxylate
PubChem CID154814336
Molecular FormulaC8H10LiN3O2
Molecular Weight187.13 g/mol
Exact Mass187.09
IUPAC Namelithium 2-(3-azidocyclobutyl)cyclopropane-1-carboxylate
SMILES[Li+].[N-]=[N+]=NC1CC(C2CC2C(=O)[O-])C1
InChIInChI=1S/C8H11N3O2.Li/c9-11-10-5-1-4(2-5)6-3-7(6)8(12)13;/h4-7H,1-3H2,(H,12,13);/q;+1/p-1
InChIKeyAVLMHYMUOKTFJG-UHFFFAOYSA-M
XLogP-2.53
TPSA88.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.13
LogP ≤ 5-2.53
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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Frequently Asked Questions

What is the IUPAC name of lithium 2-(3-azidocyclobutyl)cyclopropane-1-carboxylate?
The IUPAC name of lithium 2-(3-azidocyclobutyl)cyclopropane-1-carboxylate (CID 154814336) is lithium 2-(3-azidocyclobutyl)cyclopropane-1-carboxylate.
What is the SMILES notation for lithium 2-(3-azidocyclobutyl)cyclopropane-1-carboxylate?
The canonical SMILES for lithium 2-(3-azidocyclobutyl)cyclopropane-1-carboxylate is [Li+].[N-]=[N+]=NC1CC(C2CC2C(=O)[O-])C1.
What is the InChIKey of lithium 2-(3-azidocyclobutyl)cyclopropane-1-carboxylate?
The InChIKey is AVLMHYMUOKTFJG-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H11N3O2.Li/c9-11-10-5-1-4(2-5)6-3-7(6)8(12)13;/h4-7H,1-3H2,(H,12,13);/q;+1/p-1.
What are the key properties of lithium 2-(3-azidocyclobutyl)cyclopropane-1-carboxylate?
lithium 2-(3-azidocyclobutyl)cyclopropane-1-carboxylate has a molecular weight of 187.13 g/mol, XLogP of -2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-(3-azidocyclobutyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 154814336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).