cis-(1S,2R)-cyclopropane-1,2-dicarbonyl azide

C5H4N6O2 — CID 13108219

IUPACcis-(1S,2R)-cyclopropane-1,2-dicarbonyl azide
SMILES[N-]=[N+]=NC(=O)[C@H]1C[C@H]1C(=O)N=[N+]=[N-]
InChIInChI=1S/C5H4N6O2/c6-10-8-4(12)2-1-3(2)5(13)9-11-7/h2-3H,1H2/t2-,3+
InChIKeyNSIMIKRSSVRKEI-WSOKHJQSSA-N
MW180.13 g/mol
LogP1.30
Rot. Bonds2

About cis-(1S,2R)-cyclopropane-1,2-dicarbonyl azide

cis-(1S,2R)-cyclopropane-1,2-dicarbonyl azide (PubChem CID 13108219) has the molecular formula C5H4N6O2 and a molecular weight of 180.13 g/mol. Its IUPAC name is cis-(1S,2R)-cyclopropane-1,2-dicarbonyl azide.

Molecular Properties

Compound Namecis-(1S,2R)-cyclopropane-1,2-dicarbonyl azide
PubChem CID13108219
Molecular FormulaC5H4N6O2
Molecular Weight180.13 g/mol
Exact Mass180.04
IUPAC Namecis-(1S,2R)-cyclopropane-1,2-dicarbonyl azide
SMILES[N-]=[N+]=NC(=O)[C@H]1C[C@H]1C(=O)N=[N+]=[N-]
InChIInChI=1S/C5H4N6O2/c6-10-8-4(12)2-1-3(2)5(13)9-11-7/h2-3H,1H2/t2-,3+
InChIKeyNSIMIKRSSVRKEI-WSOKHJQSSA-N
XLogP1.30
TPSA131.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 51.30
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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Related Compounds

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trans-(1S,2S)-2-(1,3-thiazol-5-yl)cyclopropane-1-carbonyl azide
CID 90395362
ethane;spiro[2.5]octane-6-carbonyl azide
CID 153389473
N-diazocarbamoyl fluoride
CID 71358879
methanol;2-methoxy-6-methyloxane-4-carbonyl azide
CID 142065024
trans-(1R,2R)-2-(1-tritylimidazol-4-yl)cyclopropane-1-carbonyl azide
CID 11825927
ethyl (9R,10R)-10-carbonazidoyltricyclo[10.2.2.24,7]octadeca-1(15),4,6,12(16),13,17-hexaene-9-carboxylate
CID 93286389
2-oxopentanedioyl diazide
CID 142765707
bicyclo[4.1.0]hept-2-ene-7-carbonyl azide
CID 130004506
2-diazo-1-[(1R,2R)-2-(2-diazoacetyl)cyclopropyl]ethanone
CID 11915801
2-(azidomethyl)cyclopropane-1-carboxylate
CID 20505597
3-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-phenylcyclopentane-1-carbonyl azide
CID 139985135

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-cyclopropane-1,2-dicarbonyl azide?
The IUPAC name of cis-(1S,2R)-cyclopropane-1,2-dicarbonyl azide (CID 13108219) is cis-(1S,2R)-cyclopropane-1,2-dicarbonyl azide.
What is the SMILES notation for cis-(1S,2R)-cyclopropane-1,2-dicarbonyl azide?
The canonical SMILES for cis-(1S,2R)-cyclopropane-1,2-dicarbonyl azide is [N-]=[N+]=NC(=O)[C@H]1C[C@H]1C(=O)N=[N+]=[N-].
What is the InChIKey of cis-(1S,2R)-cyclopropane-1,2-dicarbonyl azide?
The InChIKey is NSIMIKRSSVRKEI-WSOKHJQSSA-N. The full InChI is InChI=1S/C5H4N6O2/c6-10-8-4(12)2-1-3(2)5(13)9-11-7/h2-3H,1H2/t2-,3+.
What are the key properties of cis-(1S,2R)-cyclopropane-1,2-dicarbonyl azide?
cis-(1S,2R)-cyclopropane-1,2-dicarbonyl azide has a molecular weight of 180.13 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-cyclopropane-1,2-dicarbonyl azide is sourced from PubChem (CID 13108219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).