cis-benzyl (1S,3R)-3-(benzhydrylideneamino)cyclopentane-1-carboxylate

C26H25NO2 — CID 58885212

IUPACcis-benzyl (1S,3R)-3-(benzhydrylideneamino)cyclopentane-1-carboxylate
SMILESO=C(OCc1ccccc1)[C@H]1CC[C@@H](N=C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C26H25NO2/c28-26(29-19-20-10-4-1-5-11-20)23-16-17-24(18-23)27-25(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23-24H,16-19H2/t23-,24+/m0/s1
InChIKeyWDQLFGHWASGAQC-BJKOFHAPSA-N
MW383.49 g/mol
LogP5.44
Rot. Bonds6

About cis-benzyl (1S,3R)-3-(benzhydrylideneamino)cyclopentane-1-carboxylate

cis-benzyl (1S,3R)-3-(benzhydrylideneamino)cyclopentane-1-carboxylate (PubChem CID 58885212) has the molecular formula C26H25NO2 and a molecular weight of 383.49 g/mol. Its IUPAC name is cis-benzyl (1S,3R)-3-(benzhydrylideneamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-benzyl (1S,3R)-3-(benzhydrylideneamino)cyclopentane-1-carboxylate
PubChem CID58885212
Molecular FormulaC26H25NO2
Molecular Weight383.49 g/mol
Exact Mass383.19
IUPAC Namecis-benzyl (1S,3R)-3-(benzhydrylideneamino)cyclopentane-1-carboxylate
SMILESO=C(OCc1ccccc1)[C@H]1CC[C@@H](N=C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C26H25NO2/c28-26(29-19-20-10-4-1-5-11-20)23-16-17-24(18-23)27-25(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23-24H,16-19H2/t23-,24+/m0/s1
InChIKeyWDQLFGHWASGAQC-BJKOFHAPSA-N
XLogP5.44
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

benzyl 3-(propan-2-ylideneamino)cyclopentane-1-carboxylate
CID 23533654
dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451
benzyl 3-methoxycyclopentane-1-carboxylate
CID 175265399
trans-(1S,3S)-3-phenylmethoxycarbonylcyclohexane-1-carboxylic acid
CID 68554309
cis-benzyl (1S,3R)-3-hydroxycyclohexane-1-carboxylate
CID 69436465
(3R)-3,5-bis(phenylmethoxycarbonyl)cyclohexane-1-carboxylic acid
CID 143048104
carbon dioxide;trans-benzyl (1S,3S)-3-benzylcyclopentane-1-carboxylate
CID 157404672
benzyl 4-methoxycyclohexane-1-carboxylate
CID 118262723
benzyl (3R)-3-phenylmethoxycyclohexane-1-carboxylate
CID 59011020
benzyl (2S)-2-methylpiperidine-4-carboxylate
CID 58583746
benzyl 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate
CID 18327536
benzyl 2-hydroxycyclobutane-1-carboxylate
CID 174627275

Frequently Asked Questions

What is the IUPAC name of cis-benzyl (1S,3R)-3-(benzhydrylideneamino)cyclopentane-1-carboxylate?
The IUPAC name of cis-benzyl (1S,3R)-3-(benzhydrylideneamino)cyclopentane-1-carboxylate (CID 58885212) is cis-benzyl (1S,3R)-3-(benzhydrylideneamino)cyclopentane-1-carboxylate.
What is the SMILES notation for cis-benzyl (1S,3R)-3-(benzhydrylideneamino)cyclopentane-1-carboxylate?
The canonical SMILES for cis-benzyl (1S,3R)-3-(benzhydrylideneamino)cyclopentane-1-carboxylate is O=C(OCc1ccccc1)[C@H]1CC[C@@H](N=C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of cis-benzyl (1S,3R)-3-(benzhydrylideneamino)cyclopentane-1-carboxylate?
The InChIKey is WDQLFGHWASGAQC-BJKOFHAPSA-N. The full InChI is InChI=1S/C26H25NO2/c28-26(29-19-20-10-4-1-5-11-20)23-16-17-24(18-23)27-25(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23-24H,16-19H2/t23-,24+/m0/s1.
What are the key properties of cis-benzyl (1S,3R)-3-(benzhydrylideneamino)cyclopentane-1-carboxylate?
cis-benzyl (1S,3R)-3-(benzhydrylideneamino)cyclopentane-1-carboxylate has a molecular weight of 383.49 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-benzyl (1S,3R)-3-(benzhydrylideneamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 58885212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).