1-(azidomethyl)cyclopropane-1-carbonitrile

C5H6N4 — CID 86635132

IUPAC1-(azidomethyl)cyclopropane-1-carbonitrile
SMILESN#CC1(CN=[N+]=[N-])CC1
InChIInChI=1S/C5H6N4/c6-3-5(1-2-5)4-8-9-7/h1-2,4H2
InChIKeyIBHXYBCANROUPG-UHFFFAOYSA-N
MW122.13 g/mol
LogP1.60
Rot. Bonds2

About 1-(azidomethyl)cyclopropane-1-carbonitrile

1-(azidomethyl)cyclopropane-1-carbonitrile (PubChem CID 86635132) has the molecular formula C5H6N4 and a molecular weight of 122.13 g/mol. Its IUPAC name is 1-(azidomethyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(azidomethyl)cyclopropane-1-carbonitrile
PubChem CID86635132
Molecular FormulaC5H6N4
Molecular Weight122.13 g/mol
Exact Mass122.06
IUPAC Name1-(azidomethyl)cyclopropane-1-carbonitrile
SMILESN#CC1(CN=[N+]=[N-])CC1
InChIInChI=1S/C5H6N4/c6-3-5(1-2-5)4-8-9-7/h1-2,4H2
InChIKeyIBHXYBCANROUPG-UHFFFAOYSA-N
XLogP1.60
TPSA72.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 51.60
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 1-(azidomethyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(azidomethyl)cyclopropane-1-carbonitrile (CID 86635132) is 1-(azidomethyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(azidomethyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(azidomethyl)cyclopropane-1-carbonitrile is N#CC1(CN=[N+]=[N-])CC1.
What is the InChIKey of 1-(azidomethyl)cyclopropane-1-carbonitrile?
The InChIKey is IBHXYBCANROUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4/c6-3-5(1-2-5)4-8-9-7/h1-2,4H2.
What are the key properties of 1-(azidomethyl)cyclopropane-1-carbonitrile?
1-(azidomethyl)cyclopropane-1-carbonitrile has a molecular weight of 122.13 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azidomethyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 86635132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).