[2-[(1S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentyl]-diphenylphosphane

C25H34NOP — CID 59651492

IUPAC[2-[(1S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentyl]-diphenylphosphane
SMILESCOC[C@@H]1CCCN1[C@@H](C)C1CCCC1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H34NOP/c1-20(26-18-10-11-21(26)19-27-2)24-16-9-17-25(24)28(22-12-5-3-6-13-22)23-14-7-4-8-15-23/h3-8,12-15,20-21,24-25H,9-11,16-19H2,1-2H3/t20-,21-,24?,25?/m0/s1
InChIKeyQJAGAPJPXCMPJC-SKGAXEKPSA-N
MW395.53 g/mol
LogP4.79
Rot. Bonds7

About [2-[(1S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentyl]-diphenylphosphane

[2-[(1S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentyl]-diphenylphosphane (PubChem CID 59651492) has the molecular formula C25H34NOP and a molecular weight of 395.53 g/mol. Its IUPAC name is [2-[(1S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[(1S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentyl]-diphenylphosphane
PubChem CID59651492
Molecular FormulaC25H34NOP
Molecular Weight395.53 g/mol
Exact Mass395.24
IUPAC Name[2-[(1S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentyl]-diphenylphosphane
SMILESCOC[C@@H]1CCCN1[C@@H](C)C1CCCC1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H34NOP/c1-20(26-18-10-11-21(26)19-27-2)24-16-9-17-25(24)28(22-12-5-3-6-13-22)23-14-7-4-8-15-23/h3-8,12-15,20-21,24-25H,9-11,16-19H2,1-2H3/t20-,21-,24?,25?/m0/s1
InChIKeyQJAGAPJPXCMPJC-SKGAXEKPSA-N
XLogP4.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[(1S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentyl]-diphenylphosphane?
The IUPAC name of [2-[(1S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentyl]-diphenylphosphane (CID 59651492) is [2-[(1S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentyl]-diphenylphosphane.
What is the SMILES notation for [2-[(1S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentyl]-diphenylphosphane?
The canonical SMILES for [2-[(1S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentyl]-diphenylphosphane is COC[C@@H]1CCCN1[C@@H](C)C1CCCC1P(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[(1S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentyl]-diphenylphosphane?
The InChIKey is QJAGAPJPXCMPJC-SKGAXEKPSA-N. The full InChI is InChI=1S/C25H34NOP/c1-20(26-18-10-11-21(26)19-27-2)24-16-9-17-25(24)28(22-12-5-3-6-13-22)23-14-7-4-8-15-23/h3-8,12-15,20-21,24-25H,9-11,16-19H2,1-2H3/t20-,21-,24?,25?/m0/s1.
What are the key properties of [2-[(1S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentyl]-diphenylphosphane?
[2-[(1S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentyl]-diphenylphosphane has a molecular weight of 395.53 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentyl]-diphenylphosphane is sourced from PubChem (CID 59651492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).