2-(cyclopropen-1-yl)aziridine

C5H7N — CID 146806173

IUPAC2-(cyclopropen-1-yl)aziridine
SMILESC1=C(C2CN2)C1
InChIInChI=1S/C5H7N/c1-2-4(1)5-3-6-5/h1,5-6H,2-3H2
InChIKeyRZDWPDJDVWZHFM-UHFFFAOYSA-N
MW81.12 g/mol
LogP0.29
Rot. Bonds1

About 2-(cyclopropen-1-yl)aziridine

2-(cyclopropen-1-yl)aziridine (PubChem CID 146806173) has the molecular formula C5H7N and a molecular weight of 81.12 g/mol. Its IUPAC name is 2-(cyclopropen-1-yl)aziridine.

Molecular Properties

Compound Name2-(cyclopropen-1-yl)aziridine
PubChem CID146806173
Molecular FormulaC5H7N
Molecular Weight81.12 g/mol
Exact Mass81.06
IUPAC Name2-(cyclopropen-1-yl)aziridine
SMILESC1=C(C2CN2)C1
InChIInChI=1S/C5H7N/c1-2-4(1)5-3-6-5/h1,5-6H,2-3H2
InChIKeyRZDWPDJDVWZHFM-UHFFFAOYSA-N
XLogP0.29
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.12
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(6aR)-1,2,4,5,6,6a-hexahydropyrrolo[3,4-b]pyrrole
CID 11094563
(7aR)-2,3,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridine;dihydrochloride
CID 70230192
4-(aziridin-2-yl)aniline
CID 87528388
ethane;(2S)-2-phenylaziridine
CID 145185749
(2S)-2-(4,5-dimethoxy-2-methylphenyl)aziridine
CID 55263982
(2R)-2-(3-fluoro-2-methylphenyl)aziridine
CID 55263754
(2S)-2-(4-ethoxy-3-methoxyphenyl)aziridine
CID 55263976
2-(3-chloro-4-ethoxyphenyl)aziridine
CID 82469286
(2S)-2-thiophen-2-ylaziridine
CID 55263035
(2R)-2-thiophen-3-ylaziridine
CID 172991225
2,3,8-triazatricyclo[5.2.1.02,6]deca-3,5-diene
CID 171511525
(1S,7S)-2,3,8-triazatricyclo[5.2.1.02,6]deca-3,5-diene;hydrochloride
CID 171511426

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropen-1-yl)aziridine?
The IUPAC name of 2-(cyclopropen-1-yl)aziridine (CID 146806173) is 2-(cyclopropen-1-yl)aziridine.
What is the SMILES notation for 2-(cyclopropen-1-yl)aziridine?
The canonical SMILES for 2-(cyclopropen-1-yl)aziridine is C1=C(C2CN2)C1.
What is the InChIKey of 2-(cyclopropen-1-yl)aziridine?
The InChIKey is RZDWPDJDVWZHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N/c1-2-4(1)5-3-6-5/h1,5-6H,2-3H2.
What are the key properties of 2-(cyclopropen-1-yl)aziridine?
2-(cyclopropen-1-yl)aziridine has a molecular weight of 81.12 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropen-1-yl)aziridine is sourced from PubChem (CID 146806173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).