1-(furan-3-yl)aziridine

C6H7NO — CID 163878463

IUPAC1-(furan-3-yl)aziridine
SMILESc1cc(N2CC2)co1
InChIInChI=1S/C6H7NO/c1-4-8-5-6(1)7-2-3-7/h1,4-5H,2-3H2
InChIKeyPQZLOBQGBQBHIK-UHFFFAOYSA-N
MW109.13 g/mol
LogP1.10
Rot. Bonds1

About 1-(furan-3-yl)aziridine

1-(furan-3-yl)aziridine (PubChem CID 163878463) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 1-(furan-3-yl)aziridine.

Molecular Properties

Compound Name1-(furan-3-yl)aziridine
PubChem CID163878463
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name1-(furan-3-yl)aziridine
SMILESc1cc(N2CC2)co1
InChIInChI=1S/C6H7NO/c1-4-8-5-6(1)7-2-3-7/h1,4-5H,2-3H2
InChIKeyPQZLOBQGBQBHIK-UHFFFAOYSA-N
XLogP1.10
TPSA16.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 51.10
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

3-Acetamidofuran
CID 521882
Ammonium, (3-furyl)trimethyl-, iodide
CID 199990
4-(Furan-3-yl)morpholine
CID 12009355
Furan-3-yl(trimethyl)azanium
CID 199991
N-(2-fluoroethyl)furan-3-amine
CID 140143628
N-(2,2-difluoroethyl)furan-3-amine
CID 151412690
1-(furan-3-yl)-3-(trifluoromethyl)-2H-imidazole
CID 174593433
4,4-Difluoro-1-(furan-3-yl)piperidine
CID 175988490
ethyl N-(2-bromoprop-2-enyl)-N-(furan-3-yl)carbamate
CID 135076654
N,N-diethylfuran-3-amine
CID 12009356
N-butylfuran-3-amine
CID 12009357
N-(furan-3-yl)furan-3-amine
CID 17932953

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)aziridine?
The IUPAC name of 1-(furan-3-yl)aziridine (CID 163878463) is 1-(furan-3-yl)aziridine.
What is the SMILES notation for 1-(furan-3-yl)aziridine?
The canonical SMILES for 1-(furan-3-yl)aziridine is c1cc(N2CC2)co1.
What is the InChIKey of 1-(furan-3-yl)aziridine?
The InChIKey is PQZLOBQGBQBHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c1-4-8-5-6(1)7-2-3-7/h1,4-5H,2-3H2.
What are the key properties of 1-(furan-3-yl)aziridine?
1-(furan-3-yl)aziridine has a molecular weight of 109.13 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)aziridine is sourced from PubChem (CID 163878463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).