4-[(E)-prop-1-enyl]-1,3-benzodioxole

C10H10O2 — CID 102486201

IUPAC4-[(E)-prop-1-enyl]-1,3-benzodioxole
SMILESC/C=C/c1cccc2c1OCO2
InChIInChI=1S/C10H10O2/c1-2-4-8-5-3-6-9-10(8)12-7-11-9/h2-6H,7H2,1H3/b4-2+
InChIKeyBLTZBNMFKAUMRR-DUXPYHPUSA-N
MW162.19 g/mol
LogP2.45
Rot. Bonds1

About 4-[(E)-prop-1-enyl]-1,3-benzodioxole

4-[(E)-prop-1-enyl]-1,3-benzodioxole (PubChem CID 102486201) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 4-[(E)-prop-1-enyl]-1,3-benzodioxole.

Molecular Properties

Compound Name4-[(E)-prop-1-enyl]-1,3-benzodioxole
PubChem CID102486201
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name4-[(E)-prop-1-enyl]-1,3-benzodioxole
SMILESC/C=C/c1cccc2c1OCO2
InChIInChI=1S/C10H10O2/c1-2-4-8-5-3-6-9-10(8)12-7-11-9/h2-6H,7H2,1H3/b4-2+
InChIKeyBLTZBNMFKAUMRR-DUXPYHPUSA-N
XLogP2.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(Z)-prop-1-enyl]-1,3-benzodioxole
CID 89214713
4-(1,3-benzodioxol-4-yl)but-3-en-2-one
CID 54504381
8-[(Z)-prop-1-enyl]-4H-1,3-benzodioxine
CID 143586852
(E)-3-(1,3-benzodioxol-4-yl)prop-2-enoic acid
CID 6113665
(Z)-3-(1,3-benzodioxol-4-yl)prop-2-enoic acid
CID 45053203
N-[(E)-[(E)-4-(1,3-benzodioxol-4-yl)but-3-en-2-ylidene]amino]ethanamine
CID 142918117
(E)-3-(1,3-benzodioxol-4-yl)-N-(diaminomethylidene)prop-2-enamide
CID 15940935
4,5-dimethoxy-6-prop-1-enyl-1,3-benzodioxole
CID 53397162
N-methyl-1,3-benzodioxol-4-amine
CID 55252977
1,2,3-tris[(Z)-prop-1-enyl]benzene
CID 173113389
1,5-bis(prop-1-enyl)naphthalene
CID 139669430
2-(1,3-benzodioxol-4-yl)-2-methylpropanal
CID 83685028

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-prop-1-enyl]-1,3-benzodioxole?
The IUPAC name of 4-[(E)-prop-1-enyl]-1,3-benzodioxole (CID 102486201) is 4-[(E)-prop-1-enyl]-1,3-benzodioxole.
What is the SMILES notation for 4-[(E)-prop-1-enyl]-1,3-benzodioxole?
The canonical SMILES for 4-[(E)-prop-1-enyl]-1,3-benzodioxole is C/C=C/c1cccc2c1OCO2.
What is the InChIKey of 4-[(E)-prop-1-enyl]-1,3-benzodioxole?
The InChIKey is BLTZBNMFKAUMRR-DUXPYHPUSA-N. The full InChI is InChI=1S/C10H10O2/c1-2-4-8-5-3-6-9-10(8)12-7-11-9/h2-6H,7H2,1H3/b4-2+.
What are the key properties of 4-[(E)-prop-1-enyl]-1,3-benzodioxole?
4-[(E)-prop-1-enyl]-1,3-benzodioxole has a molecular weight of 162.19 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-prop-1-enyl]-1,3-benzodioxole is sourced from PubChem (CID 102486201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).