2-[2-[(E)-prop-1-enyl]cyclopenten-1-yl]benzaldehyde

C15H16O — CID 10822441

IUPAC2-[2-[(E)-prop-1-enyl]cyclopenten-1-yl]benzaldehyde
SMILESC/C=C/C1=C(c2ccccc2C=O)CCC1
InChIInChI=1S/C15H16O/c1-2-6-12-8-5-10-14(12)15-9-4-3-7-13(15)11-16/h2-4,6-7,9,11H,5,8,10H2,1H3/b6-2+
InChIKeyQPDLLRDOCXLSLJ-QHHAFSJGSA-N
MW212.29 g/mol
LogP4.01
Rot. Bonds3

About 2-[2-[(E)-prop-1-enyl]cyclopenten-1-yl]benzaldehyde

2-[2-[(E)-prop-1-enyl]cyclopenten-1-yl]benzaldehyde (PubChem CID 10822441) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-[2-[(E)-prop-1-enyl]cyclopenten-1-yl]benzaldehyde.

Molecular Properties

Compound Name2-[2-[(E)-prop-1-enyl]cyclopenten-1-yl]benzaldehyde
PubChem CID10822441
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name2-[2-[(E)-prop-1-enyl]cyclopenten-1-yl]benzaldehyde
SMILESC/C=C/C1=C(c2ccccc2C=O)CCC1
InChIInChI=1S/C15H16O/c1-2-6-12-8-5-10-14(12)15-9-4-3-7-13(15)11-16/h2-4,6-7,9,11H,5,8,10H2,1H3/b6-2+
InChIKeyQPDLLRDOCXLSLJ-QHHAFSJGSA-N
XLogP4.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-prop-1-enyl]cyclopenten-1-yl]benzaldehyde?
The IUPAC name of 2-[2-[(E)-prop-1-enyl]cyclopenten-1-yl]benzaldehyde (CID 10822441) is 2-[2-[(E)-prop-1-enyl]cyclopenten-1-yl]benzaldehyde.
What is the SMILES notation for 2-[2-[(E)-prop-1-enyl]cyclopenten-1-yl]benzaldehyde?
The canonical SMILES for 2-[2-[(E)-prop-1-enyl]cyclopenten-1-yl]benzaldehyde is C/C=C/C1=C(c2ccccc2C=O)CCC1.
What is the InChIKey of 2-[2-[(E)-prop-1-enyl]cyclopenten-1-yl]benzaldehyde?
The InChIKey is QPDLLRDOCXLSLJ-QHHAFSJGSA-N. The full InChI is InChI=1S/C15H16O/c1-2-6-12-8-5-10-14(12)15-9-4-3-7-13(15)11-16/h2-4,6-7,9,11H,5,8,10H2,1H3/b6-2+.
What are the key properties of 2-[2-[(E)-prop-1-enyl]cyclopenten-1-yl]benzaldehyde?
2-[2-[(E)-prop-1-enyl]cyclopenten-1-yl]benzaldehyde has a molecular weight of 212.29 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-prop-1-enyl]cyclopenten-1-yl]benzaldehyde is sourced from PubChem (CID 10822441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).