2-[(1R)-2-phenylcyclopent-3-en-1-yl]acetaldehyde

C13H14O — CID 102485646

IUPAC2-[(1R)-2-phenylcyclopent-3-en-1-yl]acetaldehyde
SMILESO=CC[C@H]1CC=CC1c1ccccc1
InChIInChI=1S/C13H14O/c14-10-9-12-7-4-8-13(12)11-5-2-1-3-6-11/h1-6,8,10,12-13H,7,9H2/t12-,13?/m1/s1
InChIKeyROWCBAZTGJAIBA-PZORYLMUSA-N
MW186.25 g/mol
LogP2.94
Rot. Bonds3

About 2-[(1R)-2-phenylcyclopent-3-en-1-yl]acetaldehyde

2-[(1R)-2-phenylcyclopent-3-en-1-yl]acetaldehyde (PubChem CID 102485646) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[(1R)-2-phenylcyclopent-3-en-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(1R)-2-phenylcyclopent-3-en-1-yl]acetaldehyde
PubChem CID102485646
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name2-[(1R)-2-phenylcyclopent-3-en-1-yl]acetaldehyde
SMILESO=CC[C@H]1CC=CC1c1ccccc1
InChIInChI=1S/C13H14O/c14-10-9-12-7-4-8-13(12)11-5-2-1-3-6-11/h1-6,8,10,12-13H,7,9H2/t12-,13?/m1/s1
InChIKeyROWCBAZTGJAIBA-PZORYLMUSA-N
XLogP2.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-phenylcyclopent-3-en-1-yl]acetaldehyde?
The IUPAC name of 2-[(1R)-2-phenylcyclopent-3-en-1-yl]acetaldehyde (CID 102485646) is 2-[(1R)-2-phenylcyclopent-3-en-1-yl]acetaldehyde.
What is the SMILES notation for 2-[(1R)-2-phenylcyclopent-3-en-1-yl]acetaldehyde?
The canonical SMILES for 2-[(1R)-2-phenylcyclopent-3-en-1-yl]acetaldehyde is O=CC[C@H]1CC=CC1c1ccccc1.
What is the InChIKey of 2-[(1R)-2-phenylcyclopent-3-en-1-yl]acetaldehyde?
The InChIKey is ROWCBAZTGJAIBA-PZORYLMUSA-N. The full InChI is InChI=1S/C13H14O/c14-10-9-12-7-4-8-13(12)11-5-2-1-3-6-11/h1-6,8,10,12-13H,7,9H2/t12-,13?/m1/s1.
What are the key properties of 2-[(1R)-2-phenylcyclopent-3-en-1-yl]acetaldehyde?
2-[(1R)-2-phenylcyclopent-3-en-1-yl]acetaldehyde has a molecular weight of 186.25 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-phenylcyclopent-3-en-1-yl]acetaldehyde is sourced from PubChem (CID 102485646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).