(2E)-2-(1,3-benzodioxol-5-ylmethylidene)cyclopentan-1-ol

C13H14O3 — CID 6447014

IUPAC(2E)-2-(1,3-benzodioxol-5-ylmethylidene)cyclopentan-1-ol
SMILESOC1CCC/C1=C\c1ccc2c(c1)OCO2
InChIInChI=1S/C13H14O3/c14-11-3-1-2-10(11)6-9-4-5-12-13(7-9)16-8-15-12/h4-7,11,14H,1-3,8H2/b10-6+
InChIKeyPQLVLMKIYAPVBL-UXBLZVDNSA-N
MW218.25 g/mol
LogP2.34
Rot. Bonds1

About (2E)-2-(1,3-benzodioxol-5-ylmethylidene)cyclopentan-1-ol

(2E)-2-(1,3-benzodioxol-5-ylmethylidene)cyclopentan-1-ol (PubChem CID 6447014) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is (2E)-2-(1,3-benzodioxol-5-ylmethylidene)cyclopentan-1-ol.

Molecular Properties

Compound Name(2E)-2-(1,3-benzodioxol-5-ylmethylidene)cyclopentan-1-ol
PubChem CID6447014
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name(2E)-2-(1,3-benzodioxol-5-ylmethylidene)cyclopentan-1-ol
SMILESOC1CCC/C1=C\c1ccc2c(c1)OCO2
InChIInChI=1S/C13H14O3/c14-11-3-1-2-10(11)6-9-4-5-12-13(7-9)16-8-15-12/h4-7,11,14H,1-3,8H2/b10-6+
InChIKeyPQLVLMKIYAPVBL-UXBLZVDNSA-N
XLogP2.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-4-methylcyclohexan-1-ol
CID 20840673
(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-1H-naphthalen-1-ol
CID 20840675
(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-1H-naphthalen-1-ol
CID 6447016
(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-one
CID 6447008
4-(1,3-benzodioxol-5-ylmethylidene)piperidine-1-carboxylic acid
CID 151428505
(2Z,3R,6E)-2,6-bis(1,3-benzodioxol-5-ylmethylidene)-3-methylcyclohexan-1-one
CID 6552301
(2E,6E)-2,6-bis(1,3-benzodioxol-5-ylmethylidene)-3-methylcyclohexan-1-one
CID 6523576
2,3-bis(1,3-benzodioxol-5-ylmethylidene)cyclopentan-1-one
CID 59971328
2-(1,3-benzodioxol-5-ylmethylidene)-6-(morpholin-4-ylmethyl)cyclohexan-1-one
CID 3053410
5-[(Z)-2-bromoethenyl]-1,3-benzodioxole
CID 11310703
4-(1,3-benzodioxol-5-ylmethylidene)-1-phenylpyrazolidine-3,5-diol
CID 2755549
2-(1,3-benzodioxol-5-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one;hydrochloride
CID 171150785

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(1,3-benzodioxol-5-ylmethylidene)cyclopentan-1-ol?
The IUPAC name of (2E)-2-(1,3-benzodioxol-5-ylmethylidene)cyclopentan-1-ol (CID 6447014) is (2E)-2-(1,3-benzodioxol-5-ylmethylidene)cyclopentan-1-ol.
What is the SMILES notation for (2E)-2-(1,3-benzodioxol-5-ylmethylidene)cyclopentan-1-ol?
The canonical SMILES for (2E)-2-(1,3-benzodioxol-5-ylmethylidene)cyclopentan-1-ol is OC1CCC/C1=C\c1ccc2c(c1)OCO2.
What is the InChIKey of (2E)-2-(1,3-benzodioxol-5-ylmethylidene)cyclopentan-1-ol?
The InChIKey is PQLVLMKIYAPVBL-UXBLZVDNSA-N. The full InChI is InChI=1S/C13H14O3/c14-11-3-1-2-10(11)6-9-4-5-12-13(7-9)16-8-15-12/h4-7,11,14H,1-3,8H2/b10-6+.
What are the key properties of (2E)-2-(1,3-benzodioxol-5-ylmethylidene)cyclopentan-1-ol?
(2E)-2-(1,3-benzodioxol-5-ylmethylidene)cyclopentan-1-ol has a molecular weight of 218.25 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(1,3-benzodioxol-5-ylmethylidene)cyclopentan-1-ol is sourced from PubChem (CID 6447014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).