(2-azido-1-methoxyethyl)cyclopropane

C6H11N3O — CID 102567991

IUPAC(2-azido-1-methoxyethyl)cyclopropane
SMILESCOC(CN=[N+]=[N-])C1CC1
InChIInChI=1S/C6H11N3O/c1-10-6(4-8-9-7)5-2-3-5/h5-6H,2-4H2,1H3
InChIKeyFTQKGKMPGRPRNL-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.72
Rot. Bonds4

About (2-azido-1-methoxyethyl)cyclopropane

(2-azido-1-methoxyethyl)cyclopropane (PubChem CID 102567991) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is (2-azido-1-methoxyethyl)cyclopropane.

Molecular Properties

Compound Name(2-azido-1-methoxyethyl)cyclopropane
PubChem CID102567991
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name(2-azido-1-methoxyethyl)cyclopropane
SMILESCOC(CN=[N+]=[N-])C1CC1
InChIInChI=1S/C6H11N3O/c1-10-6(4-8-9-7)5-2-3-5/h5-6H,2-4H2,1H3
InChIKeyFTQKGKMPGRPRNL-UHFFFAOYSA-N
XLogP1.72
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.72
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 (2-azido-1-methoxyethyl)cyclopropane?
The IUPAC name of (2-azido-1-methoxyethyl)cyclopropane (CID 102567991) is (2-azido-1-methoxyethyl)cyclopropane.
What is the SMILES notation for (2-azido-1-methoxyethyl)cyclopropane?
The canonical SMILES for (2-azido-1-methoxyethyl)cyclopropane is COC(CN=[N+]=[N-])C1CC1.
What is the InChIKey of (2-azido-1-methoxyethyl)cyclopropane?
The InChIKey is FTQKGKMPGRPRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-10-6(4-8-9-7)5-2-3-5/h5-6H,2-4H2,1H3.
What are the key properties of (2-azido-1-methoxyethyl)cyclopropane?
(2-azido-1-methoxyethyl)cyclopropane has a molecular weight of 141.17 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-azido-1-methoxyethyl)cyclopropane is sourced from PubChem (CID 102567991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).