cis-(1S,2S)-1-azido-1-ethenyl-2-methylcyclopropane

C6H9N3 — CID 131187728

IUPACcis-(1S,2S)-1-azido-1-ethenyl-2-methylcyclopropane
SMILESC=C[C@@]1(N=[N+]=[N-])C[C@@H]1C
InChIInChI=1S/C6H9N3/c1-3-6(8-9-7)4-5(6)2/h3,5H,1,4H2,2H3/t5-,6+/m0/s1
InChIKeyVXTVAURSZGGACU-NTSWFWBYSA-N
MW123.16 g/mol
LogP2.26
Rot. Bonds2

About cis-(1S,2S)-1-azido-1-ethenyl-2-methylcyclopropane

cis-(1S,2S)-1-azido-1-ethenyl-2-methylcyclopropane (PubChem CID 131187728) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is cis-(1S,2S)-1-azido-1-ethenyl-2-methylcyclopropane.

Molecular Properties

Compound Namecis-(1S,2S)-1-azido-1-ethenyl-2-methylcyclopropane
PubChem CID131187728
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Namecis-(1S,2S)-1-azido-1-ethenyl-2-methylcyclopropane
SMILESC=C[C@@]1(N=[N+]=[N-])C[C@@H]1C
InChIInChI=1S/C6H9N3/c1-3-6(8-9-7)4-5(6)2/h3,5H,1,4H2,2H3/t5-,6+/m0/s1
InChIKeyVXTVAURSZGGACU-NTSWFWBYSA-N
XLogP2.26
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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trans-(1R,3S)-1-azido-1,3-dimethylcyclohexane
CID 130763722
trans-(1S,2S)-1-(15N)azido-2-methylcyclopropane
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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-1-azido-1-ethenyl-2-methylcyclopropane?
The IUPAC name of cis-(1S,2S)-1-azido-1-ethenyl-2-methylcyclopropane (CID 131187728) is cis-(1S,2S)-1-azido-1-ethenyl-2-methylcyclopropane.
What is the SMILES notation for cis-(1S,2S)-1-azido-1-ethenyl-2-methylcyclopropane?
The canonical SMILES for cis-(1S,2S)-1-azido-1-ethenyl-2-methylcyclopropane is C=C[C@@]1(N=[N+]=[N-])C[C@@H]1C.
What is the InChIKey of cis-(1S,2S)-1-azido-1-ethenyl-2-methylcyclopropane?
The InChIKey is VXTVAURSZGGACU-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H9N3/c1-3-6(8-9-7)4-5(6)2/h3,5H,1,4H2,2H3/t5-,6+/m0/s1.
What are the key properties of cis-(1S,2S)-1-azido-1-ethenyl-2-methylcyclopropane?
cis-(1S,2S)-1-azido-1-ethenyl-2-methylcyclopropane has a molecular weight of 123.16 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-1-azido-1-ethenyl-2-methylcyclopropane is sourced from PubChem (CID 131187728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).