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

C10H10O2 — CID 89214713

IUPAC4-[(Z)-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-RQOWECAXSA-N
MW162.19 g/mol
LogP2.45
Rot. Bonds1

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

4-[(Z)-prop-1-enyl]-1,3-benzodioxole (PubChem CID 89214713) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 4-[(Z)-prop-1-enyl]-1,3-benzodioxole.

Molecular Properties

Compound Name4-[(Z)-prop-1-enyl]-1,3-benzodioxole
PubChem CID89214713
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name4-[(Z)-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-RQOWECAXSA-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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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-prop-1-enyl]-1,3-benzodioxole?
The IUPAC name of 4-[(Z)-prop-1-enyl]-1,3-benzodioxole (CID 89214713) is 4-[(Z)-prop-1-enyl]-1,3-benzodioxole.
What is the SMILES notation for 4-[(Z)-prop-1-enyl]-1,3-benzodioxole?
The canonical SMILES for 4-[(Z)-prop-1-enyl]-1,3-benzodioxole is C/C=C\c1cccc2c1OCO2.
What is the InChIKey of 4-[(Z)-prop-1-enyl]-1,3-benzodioxole?
The InChIKey is BLTZBNMFKAUMRR-RQOWECAXSA-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-[(Z)-prop-1-enyl]-1,3-benzodioxole?
4-[(Z)-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-[(Z)-prop-1-enyl]-1,3-benzodioxole is sourced from PubChem (CID 89214713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).