2-(1,3-benzodioxol-5-yl)-1-(cyclopenten-1-yl)ethanone

C14H14O3 — CID 168896138

IUPAC2-(1,3-benzodioxol-5-yl)-1-(cyclopenten-1-yl)ethanone
SMILESO=C(Cc1ccc2c(c1)OCO2)C1=CCCC1
InChIInChI=1S/C14H14O3/c15-12(11-3-1-2-4-11)7-10-5-6-13-14(8-10)17-9-16-13/h3,5-6,8H,1-2,4,7,9H2
InChIKeyWZIOMAWOWXYUNW-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.64
Rot. Bonds3

About 2-(1,3-benzodioxol-5-yl)-1-(cyclopenten-1-yl)ethanone

2-(1,3-benzodioxol-5-yl)-1-(cyclopenten-1-yl)ethanone (PubChem CID 168896138) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-1-(cyclopenten-1-yl)ethanone.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-1-(cyclopenten-1-yl)ethanone
PubChem CID168896138
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name2-(1,3-benzodioxol-5-yl)-1-(cyclopenten-1-yl)ethanone
SMILESO=C(Cc1ccc2c(c1)OCO2)C1=CCCC1
InChIInChI=1S/C14H14O3/c15-12(11-3-1-2-4-11)7-10-5-6-13-14(8-10)17-9-16-13/h3,5-6,8H,1-2,4,7,9H2
InChIKeyWZIOMAWOWXYUNW-UHFFFAOYSA-N
XLogP2.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-benzodioxol-5-yl(cyclohepten-1-yl)methanone
CID 114999931
1,3-bis(1,3-benzodioxol-5-yl)propan-1-one
CID 121289567
2-(1,3-benzodioxol-5-yl)acetic acid;hydrochloride
CID 67706541
1-(cyclopenten-1-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 103447993
2-(1,3-benzodioxol-5-yl)-N',N'-dimethylacetohydrazide
CID 116847425
2-(1,3-benzodioxol-5-yl)-1-(1,3-oxazol-5-yl)ethanone
CID 168896066
2-(1,3-benzodioxol-5-yl)-1-cyclobutylethanone
CID 168896088
3-(1,3-benzodioxol-5-yl)-2-sulfanylidenepropanoic acid
CID 601441
1-[2-(1,3-benzodioxol-5-yl)acetyl]pyrrolidin-2-one
CID 14127905
2-(1,3-benzodioxol-5-yl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 75404810
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetate
CID 7443094
2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]acetic acid
CID 82291803

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-1-(cyclopenten-1-yl)ethanone?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-1-(cyclopenten-1-yl)ethanone (CID 168896138) is 2-(1,3-benzodioxol-5-yl)-1-(cyclopenten-1-yl)ethanone.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-1-(cyclopenten-1-yl)ethanone?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-1-(cyclopenten-1-yl)ethanone is O=C(Cc1ccc2c(c1)OCO2)C1=CCCC1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-1-(cyclopenten-1-yl)ethanone?
The InChIKey is WZIOMAWOWXYUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c15-12(11-3-1-2-4-11)7-10-5-6-13-14(8-10)17-9-16-13/h3,5-6,8H,1-2,4,7,9H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-1-(cyclopenten-1-yl)ethanone?
2-(1,3-benzodioxol-5-yl)-1-(cyclopenten-1-yl)ethanone has a molecular weight of 230.26 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-1-(cyclopenten-1-yl)ethanone is sourced from PubChem (CID 168896138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).