5-[(E)-pent-2-en-3-yl]-1,3-benzodioxole

C12H14O2 — CID 95366716

IUPAC5-[(E)-pent-2-en-3-yl]-1,3-benzodioxole
SMILESC/C=C(\CC)c1ccc2c(c1)OCO2
InChIInChI=1S/C12H14O2/c1-3-9(4-2)10-5-6-11-12(7-10)14-8-13-11/h3,5-7H,4,8H2,1-2H3/b9-3+
InChIKeyNIMKYVIZYOWLKV-YCRREMRBSA-N
MW190.24 g/mol
LogP3.23
Rot. Bonds2

About 5-[(E)-pent-2-en-3-yl]-1,3-benzodioxole

5-[(E)-pent-2-en-3-yl]-1,3-benzodioxole (PubChem CID 95366716) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 5-[(E)-pent-2-en-3-yl]-1,3-benzodioxole.

Molecular Properties

Compound Name5-[(E)-pent-2-en-3-yl]-1,3-benzodioxole
PubChem CID95366716
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name5-[(E)-pent-2-en-3-yl]-1,3-benzodioxole
SMILESC/C=C(\CC)c1ccc2c(c1)OCO2
InChIInChI=1S/C12H14O2/c1-3-9(4-2)10-5-6-11-12(7-10)14-8-13-11/h3,5-7H,4,8H2,1-2H3/b9-3+
InChIKeyNIMKYVIZYOWLKV-YCRREMRBSA-N
XLogP3.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[2-(1,3-benzodioxol-5-yl)but-1-enyl]phenyl] acetate
CID 154290706
CID 59303845
CID 59303845
1-(1,3-benzodioxol-5-yl)-2-(ethylamino)ethanone
CID 82112937
1-(1,3-benzodioxol-5-yl)ethanone;ethene
CID 143061160
N-[(2R)-1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-N-methylpropanamide
CID 168989712
N-(3-oxopentan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 64991581
[(E)-4-(1,3-benzodioxol-5-yl)-4-oxobut-2-en-2-yl] acetate
CID 15399367
N-[4-[[(E)-2-methylbut-2-enoyl]amino]butyl]-1,3-benzodioxole-5-carboxamide
CID 175600146
6-but-1-en-2-yl-2,3-dihydro-1,4-benzodioxine
CID 89352282
1-(1,3-benzodioxol-5-yl)-2-bromopentan-1-one
CID 71313695
1-(1,3-benzodioxol-5-yl)-2-(ethylamino)butan-1-one;hydrochloride
CID 112500420
1,3-benzodioxol-5-yl-(4-ethoxyphenyl)methanone
CID 43338385

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-pent-2-en-3-yl]-1,3-benzodioxole?
The IUPAC name of 5-[(E)-pent-2-en-3-yl]-1,3-benzodioxole (CID 95366716) is 5-[(E)-pent-2-en-3-yl]-1,3-benzodioxole.
What is the SMILES notation for 5-[(E)-pent-2-en-3-yl]-1,3-benzodioxole?
The canonical SMILES for 5-[(E)-pent-2-en-3-yl]-1,3-benzodioxole is C/C=C(\CC)c1ccc2c(c1)OCO2.
What is the InChIKey of 5-[(E)-pent-2-en-3-yl]-1,3-benzodioxole?
The InChIKey is NIMKYVIZYOWLKV-YCRREMRBSA-N. The full InChI is InChI=1S/C12H14O2/c1-3-9(4-2)10-5-6-11-12(7-10)14-8-13-11/h3,5-7H,4,8H2,1-2H3/b9-3+.
What are the key properties of 5-[(E)-pent-2-en-3-yl]-1,3-benzodioxole?
5-[(E)-pent-2-en-3-yl]-1,3-benzodioxole has a molecular weight of 190.24 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-pent-2-en-3-yl]-1,3-benzodioxole is sourced from PubChem (CID 95366716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).