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

C24H32NOP — CID 59651489

IUPAC[2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentyl]-diphenylphosphane
SMILESCOC[C@@H]1CCCN1CC1CCCC1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32NOP/c1-26-19-21-11-9-17-25(21)18-20-10-8-16-24(20)27(22-12-4-2-5-13-22)23-14-6-3-7-15-23/h2-7,12-15,20-21,24H,8-11,16-19H2,1H3/t20?,21-,24?/m0/s1
InChIKeyDZGGFDGCHXHLSE-DQBMGFJSSA-N
MW381.50 g/mol
LogP4.40
Rot. Bonds7

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

[2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentyl]-diphenylphosphane (PubChem CID 59651489) has the molecular formula C24H32NOP and a molecular weight of 381.50 g/mol. Its IUPAC name is [2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentyl]-diphenylphosphane
PubChem CID59651489
Molecular FormulaC24H32NOP
Molecular Weight381.50 g/mol
Exact Mass381.22
IUPAC Name[2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentyl]-diphenylphosphane
SMILESCOC[C@@H]1CCCN1CC1CCCC1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32NOP/c1-26-19-21-11-9-17-25(21)18-20-10-8-16-24(20)27(22-12-4-2-5-13-22)23-14-6-3-7-15-23/h2-7,12-15,20-21,24H,8-11,16-19H2,1H3/t20?,21-,24?/m0/s1
InChIKeyDZGGFDGCHXHLSE-DQBMGFJSSA-N
XLogP4.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.40
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-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentyl]-diphenylphosphane?
The IUPAC name of [2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentyl]-diphenylphosphane (CID 59651489) is [2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentyl]-diphenylphosphane.
What is the SMILES notation for [2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentyl]-diphenylphosphane?
The canonical SMILES for [2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentyl]-diphenylphosphane is COC[C@@H]1CCCN1CC1CCCC1P(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentyl]-diphenylphosphane?
The InChIKey is DZGGFDGCHXHLSE-DQBMGFJSSA-N. The full InChI is InChI=1S/C24H32NOP/c1-26-19-21-11-9-17-25(21)18-20-10-8-16-24(20)27(22-12-4-2-5-13-22)23-14-6-3-7-15-23/h2-7,12-15,20-21,24H,8-11,16-19H2,1H3/t20?,21-,24?/m0/s1.
What are the key properties of [2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentyl]-diphenylphosphane?
[2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentyl]-diphenylphosphane has a molecular weight of 381.50 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentyl]-diphenylphosphane is sourced from PubChem (CID 59651489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).