trans-(1S,2S)-1-(15N)azido-2-methylcyclopropane

C4H7N3 — CID 10749143

IUPACtrans-(1S,2S)-1-(15N)azido-2-methylcyclopropane
SMILESC[C@H]1C[C@@H]1[15N]=[N+]=[N-]
InChIInChI=1S/C4H7N3/c1-3-2-4(3)6-7-5/h3-4H,2H2,1H3/t3-,4-/m0/s1/i6+1
InChIKeyPKSJFBWRQJMPBX-KAGRDHMKSA-N
MW98.11 g/mol
LogP1.71
Rot. Bonds1

About trans-(1S,2S)-1-(15N)azido-2-methylcyclopropane

trans-(1S,2S)-1-(15N)azido-2-methylcyclopropane (PubChem CID 10749143) has the molecular formula C4H7N3 and a molecular weight of 98.11 g/mol. Its IUPAC name is trans-(1S,2S)-1-(15N)azido-2-methylcyclopropane.

Molecular Properties

Compound Nametrans-(1S,2S)-1-(15N)azido-2-methylcyclopropane
PubChem CID10749143
Molecular FormulaC4H7N3
Molecular Weight98.11 g/mol
Exact Mass98.06
IUPAC Nametrans-(1S,2S)-1-(15N)azido-2-methylcyclopropane
SMILESC[C@H]1C[C@@H]1[15N]=[N+]=[N-]
InChIInChI=1S/C4H7N3/c1-3-2-4(3)6-7-5/h3-4H,2H2,1H3/t3-,4-/m0/s1/i6+1
InChIKeyPKSJFBWRQJMPBX-KAGRDHMKSA-N
XLogP1.71
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.11
LogP ≤ 51.71
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(3aS,4R,6S,6aR)-4-azido-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole
CID 121279537
trans-(3R,4R)-3,4-diazidocyclopentan-1-ol
CID 173485365
(1S,2S,4S,5S)-2,5-diazidocyclohexane-1,4-diol
CID 131137989
(1S,3R,4S)-4-azido-N,N,3-trimethylcyclohexane-1-carboxamide
CID 118565917
(3S)-4-azido-3-methyloxane
CID 139456410
[(2S,3R,5S)-3-azido-5-methyloxolan-2-yl]methanol
CID 140536388
(1R,2R,4R)-2-azido-4-methyl-1-propan-2-ylcyclohexane
CID 11579227
[(2S,5S)-3-azido-5-methyloxolan-2-yl]methanol
CID 59967386
(1S,2R,4S)-2-azido-4-methyl-1-propan-2-ylcyclohexane
CID 96930704
(4R,5R,6S)-4-azido-6-methyloxane-2,5-diol
CID 16679756
(3R,4S)-3,4-diazidothiolane
CID 89359804
(1S,3R,4S)-4-azido-N-ethyl-N,3-dimethylcyclohexane-1-carboxamide
CID 58208840

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-(15N)azido-2-methylcyclopropane?
The IUPAC name of trans-(1S,2S)-1-(15N)azido-2-methylcyclopropane (CID 10749143) is trans-(1S,2S)-1-(15N)azido-2-methylcyclopropane.
What is the SMILES notation for trans-(1S,2S)-1-(15N)azido-2-methylcyclopropane?
The canonical SMILES for trans-(1S,2S)-1-(15N)azido-2-methylcyclopropane is C[C@H]1C[C@@H]1[15N]=[N+]=[N-].
What is the InChIKey of trans-(1S,2S)-1-(15N)azido-2-methylcyclopropane?
The InChIKey is PKSJFBWRQJMPBX-KAGRDHMKSA-N. The full InChI is InChI=1S/C4H7N3/c1-3-2-4(3)6-7-5/h3-4H,2H2,1H3/t3-,4-/m0/s1/i6+1.
What are the key properties of trans-(1S,2S)-1-(15N)azido-2-methylcyclopropane?
trans-(1S,2S)-1-(15N)azido-2-methylcyclopropane has a molecular weight of 98.11 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-(15N)azido-2-methylcyclopropane is sourced from PubChem (CID 10749143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).