1-[(2-ethynylcyclopropyl)methyl]aziridine

C8H11N — CID 163552531

IUPAC1-[(2-ethynylcyclopropyl)methyl]aziridine
SMILESC#CC1CC1CN1CC1
InChIInChI=1S/C8H11N/c1-2-7-5-8(7)6-9-3-4-9/h1,7-8H,3-6H2
InChIKeyFKGCDMHXUSBONW-UHFFFAOYSA-N
MW121.18 g/mol
LogP0.57
Rot. Bonds2

About 1-[(2-ethynylcyclopropyl)methyl]aziridine

1-[(2-ethynylcyclopropyl)methyl]aziridine (PubChem CID 163552531) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 1-[(2-ethynylcyclopropyl)methyl]aziridine.

Molecular Properties

Compound Name1-[(2-ethynylcyclopropyl)methyl]aziridine
PubChem CID163552531
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name1-[(2-ethynylcyclopropyl)methyl]aziridine
SMILESC#CC1CC1CN1CC1
InChIInChI=1S/C8H11N/c1-2-7-5-8(7)6-9-3-4-9/h1,7-8H,3-6H2
InChIKeyFKGCDMHXUSBONW-UHFFFAOYSA-N
XLogP0.57
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethynylcyclopropan-1-amine
CID 131510180
1-ethyl-4-[(2-methylcyclopropyl)methyl]piperazine
CID 121477903
1-[[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]methyl]piperidine
CID 22812101
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine
CID 98124188
2-(pyrrolidin-1-ylmethyl)cyclopentan-1-amine
CID 23009063
4-ethyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine
CID 62616060
1,4,7-tris(prop-2-ynyl)-1,4,7-triazonane
CID 90277190
2-(azepan-1-ylmethyl)cycloheptan-1-amine
CID 62616403
2-(piperidin-1-ylmethyl)cyclopropane-1-carboxylic acid
CID 67187694
4-[[(2R)-5-ethynylpyrrolidin-2-yl]methyl]morpholine
CID 88583947
1-(azetidin-2-ylmethyl)-4-prop-2-ynylpiperazine
CID 130921272
cis-(1R,2S)-2-(pyrrolidin-1-ylmethyl)cyclopentan-1-ol
CID 10899101

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethynylcyclopropyl)methyl]aziridine?
The IUPAC name of 1-[(2-ethynylcyclopropyl)methyl]aziridine (CID 163552531) is 1-[(2-ethynylcyclopropyl)methyl]aziridine.
What is the SMILES notation for 1-[(2-ethynylcyclopropyl)methyl]aziridine?
The canonical SMILES for 1-[(2-ethynylcyclopropyl)methyl]aziridine is C#CC1CC1CN1CC1.
What is the InChIKey of 1-[(2-ethynylcyclopropyl)methyl]aziridine?
The InChIKey is FKGCDMHXUSBONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-2-7-5-8(7)6-9-3-4-9/h1,7-8H,3-6H2.
What are the key properties of 1-[(2-ethynylcyclopropyl)methyl]aziridine?
1-[(2-ethynylcyclopropyl)methyl]aziridine has a molecular weight of 121.18 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethynylcyclopropyl)methyl]aziridine is sourced from PubChem (CID 163552531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).