(1R,2R,3R)-3-benzoyl-2-[(E)-2-phenylethenyl]cyclopentane-1-carbaldehyde

C21H20O2 — CID 135063555

IUPAC(1R,2R,3R)-3-benzoyl-2-[(E)-2-phenylethenyl]cyclopentane-1-carbaldehyde
SMILESO=C[C@@H]1CC[C@@H](C(=O)c2ccccc2)[C@@H]1/C=C/c1ccccc1
InChIInChI=1S/C21H20O2/c22-15-18-12-14-20(21(23)17-9-5-2-6-10-17)19(18)13-11-16-7-3-1-4-8-16/h1-11,13,15,18-20H,12,14H2/b13-11+/t18-,19+,20+/m0/s1
InChIKeyORTGLYPXJGQNJI-XHWSNEKPSA-N
MW304.39 g/mol
LogP4.42
Rot. Bonds5

About (1R,2R,3R)-3-benzoyl-2-[(E)-2-phenylethenyl]cyclopentane-1-carbaldehyde

(1R,2R,3R)-3-benzoyl-2-[(E)-2-phenylethenyl]cyclopentane-1-carbaldehyde (PubChem CID 135063555) has the molecular formula C21H20O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (1R,2R,3R)-3-benzoyl-2-[(E)-2-phenylethenyl]cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name(1R,2R,3R)-3-benzoyl-2-[(E)-2-phenylethenyl]cyclopentane-1-carbaldehyde
PubChem CID135063555
Molecular FormulaC21H20O2
Molecular Weight304.39 g/mol
Exact Mass304.15
IUPAC Name(1R,2R,3R)-3-benzoyl-2-[(E)-2-phenylethenyl]cyclopentane-1-carbaldehyde
SMILESO=C[C@@H]1CC[C@@H](C(=O)c2ccccc2)[C@@H]1/C=C/c1ccccc1
InChIInChI=1S/C21H20O2/c22-15-18-12-14-20(21(23)17-9-5-2-6-10-17)19(18)13-11-16-7-3-1-4-8-16/h1-11,13,15,18-20H,12,14H2/b13-11+/t18-,19+,20+/m0/s1
InChIKeyORTGLYPXJGQNJI-XHWSNEKPSA-N
XLogP4.42
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenyl-[2-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclopropyl]methanone
CID 134887905
2-benzoylcyclohexane-1-carbaldehyde
CID 174762479
[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
CID 12564065
[(1R,2R)-2-ethenylcyclopropyl]-phenylmethanone
CID 14120313
[3-benzoyloxy-5-[(E)-2-phenylethenyl]-2-bicyclo[2.2.2]octanyl] benzoate
CID 170939262
trans-(1S,2S)-2-benzoylcyclopropane-1-carboxylic acid
CID 899673
2-[(E)-2-phenylethenyl]cyclopropan-1-amine
CID 122640920
[(1S,2S,3R,4R)-2-(3-methylbenzoyl)-3,4-bis[(E)-2-phenylethenyl]cyclobutyl]-(3-methylphenyl)methanone
CID 102398830
2-[(E)-2-phenylethenyl]cyclopropan-1-amine;hydrochloride
CID 122640919
(2-methylcyclohexyl)-phenylmethanone
CID 13148606
2-benzoylcyclohexane-1-carbonyl chloride
CID 22288669
trans-tert-butyl (1S,2S)-2-benzoylcyclopropane-1-carboxylate
CID 12996560

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R)-3-benzoyl-2-[(E)-2-phenylethenyl]cyclopentane-1-carbaldehyde?
The IUPAC name of (1R,2R,3R)-3-benzoyl-2-[(E)-2-phenylethenyl]cyclopentane-1-carbaldehyde (CID 135063555) is (1R,2R,3R)-3-benzoyl-2-[(E)-2-phenylethenyl]cyclopentane-1-carbaldehyde.
What is the SMILES notation for (1R,2R,3R)-3-benzoyl-2-[(E)-2-phenylethenyl]cyclopentane-1-carbaldehyde?
The canonical SMILES for (1R,2R,3R)-3-benzoyl-2-[(E)-2-phenylethenyl]cyclopentane-1-carbaldehyde is O=C[C@@H]1CC[C@@H](C(=O)c2ccccc2)[C@@H]1/C=C/c1ccccc1.
What is the InChIKey of (1R,2R,3R)-3-benzoyl-2-[(E)-2-phenylethenyl]cyclopentane-1-carbaldehyde?
The InChIKey is ORTGLYPXJGQNJI-XHWSNEKPSA-N. The full InChI is InChI=1S/C21H20O2/c22-15-18-12-14-20(21(23)17-9-5-2-6-10-17)19(18)13-11-16-7-3-1-4-8-16/h1-11,13,15,18-20H,12,14H2/b13-11+/t18-,19+,20+/m0/s1.
What are the key properties of (1R,2R,3R)-3-benzoyl-2-[(E)-2-phenylethenyl]cyclopentane-1-carbaldehyde?
(1R,2R,3R)-3-benzoyl-2-[(E)-2-phenylethenyl]cyclopentane-1-carbaldehyde has a molecular weight of 304.39 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R)-3-benzoyl-2-[(E)-2-phenylethenyl]cyclopentane-1-carbaldehyde is sourced from PubChem (CID 135063555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).