aziridin-1-yl-[2-(furan-2-yl)cyclopropyl]methanone

C10H11NO2 — CID 130606481

IUPACaziridin-1-yl-[2-(furan-2-yl)cyclopropyl]methanone
SMILESO=C(C1CC1c1ccco1)N1CC1
InChIInChI=1S/C10H11NO2/c12-10(11-3-4-11)8-6-7(8)9-2-1-5-13-9/h1-2,5,7-8H,3-4,6H2
InChIKeyYRGXQRHXGQKIIB-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.23
Rot. Bonds2

About aziridin-1-yl-[2-(furan-2-yl)cyclopropyl]methanone

aziridin-1-yl-[2-(furan-2-yl)cyclopropyl]methanone (PubChem CID 130606481) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is aziridin-1-yl-[2-(furan-2-yl)cyclopropyl]methanone.

Molecular Properties

Compound Nameaziridin-1-yl-[2-(furan-2-yl)cyclopropyl]methanone
PubChem CID130606481
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Nameaziridin-1-yl-[2-(furan-2-yl)cyclopropyl]methanone
SMILESO=C(C1CC1c1ccco1)N1CC1
InChIInChI=1S/C10H11NO2/c12-10(11-3-4-11)8-6-7(8)9-2-1-5-13-9/h1-2,5,7-8H,3-4,6H2
InChIKeyYRGXQRHXGQKIIB-UHFFFAOYSA-N
XLogP1.23
TPSA33.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 97029153
[1-[2-(furan-2-yl)cyclopropanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 75417680
[1-[(1R,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 95179871
[(1R,2R)-2-(furan-2-yl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 95588176
[(3R)-1-[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 99845766
[(1S,2R)-2-(furan-2-yl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 95588003
[(1R,2R)-2-(furan-2-yl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 95588006
[(1S,2R)-2-(furan-2-yl)cyclopropyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 95588197
[2-(furan-2-yl)cyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 56820493
[(1S,2R)-2-(furan-2-yl)cyclopropyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 95147947
[(1R,2R)-2-(furan-2-yl)cyclopropyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 95588252
1-[4-[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 95760466

Frequently Asked Questions

What is the IUPAC name of aziridin-1-yl-[2-(furan-2-yl)cyclopropyl]methanone?
The IUPAC name of aziridin-1-yl-[2-(furan-2-yl)cyclopropyl]methanone (CID 130606481) is aziridin-1-yl-[2-(furan-2-yl)cyclopropyl]methanone.
What is the SMILES notation for aziridin-1-yl-[2-(furan-2-yl)cyclopropyl]methanone?
The canonical SMILES for aziridin-1-yl-[2-(furan-2-yl)cyclopropyl]methanone is O=C(C1CC1c1ccco1)N1CC1.
What is the InChIKey of aziridin-1-yl-[2-(furan-2-yl)cyclopropyl]methanone?
The InChIKey is YRGXQRHXGQKIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-10(11-3-4-11)8-6-7(8)9-2-1-5-13-9/h1-2,5,7-8H,3-4,6H2.
What are the key properties of aziridin-1-yl-[2-(furan-2-yl)cyclopropyl]methanone?
aziridin-1-yl-[2-(furan-2-yl)cyclopropyl]methanone has a molecular weight of 177.20 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aziridin-1-yl-[2-(furan-2-yl)cyclopropyl]methanone is sourced from PubChem (CID 130606481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).