4-[1-(2-cyclopent-2-en-1-ylacetyl)azetidin-3-yl]oxybenzonitrile

C17H18N2O2 — CID 86792878

IUPAC4-[1-(2-cyclopent-2-en-1-ylacetyl)azetidin-3-yl]oxybenzonitrile
SMILESN#Cc1ccc(OC2CN(C(=O)CC3C=CCC3)C2)cc1
InChIInChI=1S/C17H18N2O2/c18-10-14-5-7-15(8-6-14)21-16-11-19(12-16)17(20)9-13-3-1-2-4-13/h1,3,5-8,13,16H,2,4,9,11-12H2
InChIKeyWMKLWJQZJBHRGE-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.50
Rot. Bonds4

About 4-[1-(2-cyclopent-2-en-1-ylacetyl)azetidin-3-yl]oxybenzonitrile

4-[1-(2-cyclopent-2-en-1-ylacetyl)azetidin-3-yl]oxybenzonitrile (PubChem CID 86792878) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[1-(2-cyclopent-2-en-1-ylacetyl)azetidin-3-yl]oxybenzonitrile.

Molecular Properties

Compound Name4-[1-(2-cyclopent-2-en-1-ylacetyl)azetidin-3-yl]oxybenzonitrile
PubChem CID86792878
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-[1-(2-cyclopent-2-en-1-ylacetyl)azetidin-3-yl]oxybenzonitrile
SMILESN#Cc1ccc(OC2CN(C(=O)CC3C=CCC3)C2)cc1
InChIInChI=1S/C17H18N2O2/c18-10-14-5-7-15(8-6-14)21-16-11-19(12-16)17(20)9-13-3-1-2-4-13/h1,3,5-8,13,16H,2,4,9,11-12H2
InChIKeyWMKLWJQZJBHRGE-UHFFFAOYSA-N
XLogP2.50
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-(4-cyanophenoxy)azetidine-1-carbonyl]amino]butanoic acid
CID 122022820
N-[1-(4-cyanophenyl)ethyl]-2-cyclopent-2-en-1-ylacetamide
CID 47161802
4-[1-(1,5-dimethylpyrrole-2-carbonyl)azetidin-3-yl]oxybenzonitrile
CID 86792894
6-[1-(2-cyclohexylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248669
4-[4-(1-acetylpiperidin-4-yl)oxyphenyl]benzonitrile
CID 24732829
4-[1-[(2S)-2-(dimethylamino)pentanoyl]piperidin-4-yl]oxybenzonitrile
CID 97250074
4-[4-(4-cyanophenoxy)cyclohexyl]oxypiperidine-1-carboxylic acid
CID 71224929
4-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethoxy]benzonitrile
CID 66370455
3-(4-cyanophenoxy)azetidine-1-sulfonyl fluoride
CID 154880570
2-cyclopent-2-en-1-yl-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]ethanone
CID 51092131
4-[1-[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-4-yl]oxybenzonitrile
CID 95907426
4-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-oxoethoxy]benzonitrile
CID 103533324

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-cyclopent-2-en-1-ylacetyl)azetidin-3-yl]oxybenzonitrile?
The IUPAC name of 4-[1-(2-cyclopent-2-en-1-ylacetyl)azetidin-3-yl]oxybenzonitrile (CID 86792878) is 4-[1-(2-cyclopent-2-en-1-ylacetyl)azetidin-3-yl]oxybenzonitrile.
What is the SMILES notation for 4-[1-(2-cyclopent-2-en-1-ylacetyl)azetidin-3-yl]oxybenzonitrile?
The canonical SMILES for 4-[1-(2-cyclopent-2-en-1-ylacetyl)azetidin-3-yl]oxybenzonitrile is N#Cc1ccc(OC2CN(C(=O)CC3C=CCC3)C2)cc1.
What is the InChIKey of 4-[1-(2-cyclopent-2-en-1-ylacetyl)azetidin-3-yl]oxybenzonitrile?
The InChIKey is WMKLWJQZJBHRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c18-10-14-5-7-15(8-6-14)21-16-11-19(12-16)17(20)9-13-3-1-2-4-13/h1,3,5-8,13,16H,2,4,9,11-12H2.
What are the key properties of 4-[1-(2-cyclopent-2-en-1-ylacetyl)azetidin-3-yl]oxybenzonitrile?
4-[1-(2-cyclopent-2-en-1-ylacetyl)azetidin-3-yl]oxybenzonitrile has a molecular weight of 282.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-cyclopent-2-en-1-ylacetyl)azetidin-3-yl]oxybenzonitrile is sourced from PubChem (CID 86792878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).