[(1R,2Z)-2-[(2R)-2-(dibenzylamino)-3-phenylmethoxypropylidene]cyclopentyl]methanol

C30H35NO2 — CID 71049047

IUPAC[(1R,2Z)-2-[(2R)-2-(dibenzylamino)-3-phenylmethoxypropylidene]cyclopentyl]methanol
SMILESOC[C@@H]1CCC/C1=C/[C@H](COCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C30H35NO2/c32-22-29-18-10-17-28(29)19-30(24-33-23-27-15-8-3-9-16-27)31(20-25-11-4-1-5-12-25)21-26-13-6-2-7-14-26/h1-9,11-16,19,29-30,32H,10,17-18,20-24H2/b28-19-/t29-,30+/m0/s1
InChIKeyULWWBFSZCFFDDS-DCQHUWAKSA-N
MW441.62 g/mol
LogP5.99
Rot. Bonds11

About [(1R,2Z)-2-[(2R)-2-(dibenzylamino)-3-phenylmethoxypropylidene]cyclopentyl]methanol

[(1R,2Z)-2-[(2R)-2-(dibenzylamino)-3-phenylmethoxypropylidene]cyclopentyl]methanol (PubChem CID 71049047) has the molecular formula C30H35NO2 and a molecular weight of 441.62 g/mol. Its IUPAC name is [(1R,2Z)-2-[(2R)-2-(dibenzylamino)-3-phenylmethoxypropylidene]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,2Z)-2-[(2R)-2-(dibenzylamino)-3-phenylmethoxypropylidene]cyclopentyl]methanol
PubChem CID71049047
Molecular FormulaC30H35NO2
Molecular Weight441.62 g/mol
Exact Mass441.27
IUPAC Name[(1R,2Z)-2-[(2R)-2-(dibenzylamino)-3-phenylmethoxypropylidene]cyclopentyl]methanol
SMILESOC[C@@H]1CCC/C1=C/[C@H](COCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C30H35NO2/c32-22-29-18-10-17-28(29)19-30(24-33-23-27-15-8-3-9-16-27)31(20-25-11-4-1-5-12-25)21-26-13-6-2-7-14-26/h1-9,11-16,19,29-30,32H,10,17-18,20-24H2/b28-19-/t29-,30+/m0/s1
InChIKeyULWWBFSZCFFDDS-DCQHUWAKSA-N
XLogP5.99
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.62
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,2Z)-2-[(2R)-2-(dibenzylamino)-3-phenylmethoxypropylidene]cyclopentyl]methanol?
The IUPAC name of [(1R,2Z)-2-[(2R)-2-(dibenzylamino)-3-phenylmethoxypropylidene]cyclopentyl]methanol (CID 71049047) is [(1R,2Z)-2-[(2R)-2-(dibenzylamino)-3-phenylmethoxypropylidene]cyclopentyl]methanol.
What is the SMILES notation for [(1R,2Z)-2-[(2R)-2-(dibenzylamino)-3-phenylmethoxypropylidene]cyclopentyl]methanol?
The canonical SMILES for [(1R,2Z)-2-[(2R)-2-(dibenzylamino)-3-phenylmethoxypropylidene]cyclopentyl]methanol is OC[C@@H]1CCC/C1=C/[C@H](COCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of [(1R,2Z)-2-[(2R)-2-(dibenzylamino)-3-phenylmethoxypropylidene]cyclopentyl]methanol?
The InChIKey is ULWWBFSZCFFDDS-DCQHUWAKSA-N. The full InChI is InChI=1S/C30H35NO2/c32-22-29-18-10-17-28(29)19-30(24-33-23-27-15-8-3-9-16-27)31(20-25-11-4-1-5-12-25)21-26-13-6-2-7-14-26/h1-9,11-16,19,29-30,32H,10,17-18,20-24H2/b28-19-/t29-,30+/m0/s1.
What are the key properties of [(1R,2Z)-2-[(2R)-2-(dibenzylamino)-3-phenylmethoxypropylidene]cyclopentyl]methanol?
[(1R,2Z)-2-[(2R)-2-(dibenzylamino)-3-phenylmethoxypropylidene]cyclopentyl]methanol has a molecular weight of 441.62 g/mol, XLogP of 5.99, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2Z)-2-[(2R)-2-(dibenzylamino)-3-phenylmethoxypropylidene]cyclopentyl]methanol is sourced from PubChem (CID 71049047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).