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

C25H34NOP — CID 58160428

IUPAC[2-[(1S)-1-[2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentyl]-diphenylphosphane
SMILESCOCC1CCCN1[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-WBZHTJOCSA-N
MW395.53 g/mol
LogP4.79
Rot. Bonds7

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

[2-[(1S)-1-[2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentyl]-diphenylphosphane (PubChem CID 58160428) has the molecular formula C25H34NOP and a molecular weight of 395.53 g/mol. Its IUPAC name is [2-[(1S)-1-[2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[(1S)-1-[2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentyl]-diphenylphosphane
PubChem CID58160428
Molecular FormulaC25H34NOP
Molecular Weight395.53 g/mol
Exact Mass395.24
IUPAC Name[2-[(1S)-1-[2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentyl]-diphenylphosphane
SMILESCOCC1CCCN1[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-WBZHTJOCSA-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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Related Compounds

[2-[1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-3-methylcyclopentyl]-diphenylphosphane
CID 162269645
cyclopentane;diphenyl-(2-propan-2-ylcyclopentyl)phosphane
CID 90737985
[(1S)-1-[(1R,2R)-2-diphenylphosphanylcyclopentyl]ethyl]-diphenylphosphane
CID 141093024
(2R)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylacetic acid
CID 11172721
(2S)-2-[methoxy(diphenyl)methyl]-1-propan-2-ylpyrrolidine;(2S)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine
CID 160513708
[(1S)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]-2-methylpropyl]-diphenylphosphane
CID 11698892
CID 58903834
CID 58903834
carbanide;bis(diphenyl-[2-[(1S)-1-phenylethyl]cyclopentyl]phosphane);iron(2+);methane
CID 162272143
[(2R)-2-[(1R)-2-diphenylphosphanylcyclopentyl]cyclopentyl]-diphenylphosphane
CID 15361438
cyclopentane;1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron;hydrate
CID 171371546
carbanide;cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron(2+)
CID 155882684
dicyclohexyl-[1-[(2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane
CID 121477932

Frequently Asked Questions

What is the IUPAC name of [2-[(1S)-1-[2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentyl]-diphenylphosphane?
The IUPAC name of [2-[(1S)-1-[2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentyl]-diphenylphosphane (CID 58160428) is [2-[(1S)-1-[2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentyl]-diphenylphosphane.
What is the SMILES notation for [2-[(1S)-1-[2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentyl]-diphenylphosphane?
The canonical SMILES for [2-[(1S)-1-[2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentyl]-diphenylphosphane is COCC1CCCN1[C@@H](C)C1CCCC1P(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[(1S)-1-[2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentyl]-diphenylphosphane?
The InChIKey is QJAGAPJPXCMPJC-WBZHTJOCSA-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-[2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentyl]-diphenylphosphane?
[2-[(1S)-1-[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-[2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentyl]-diphenylphosphane is sourced from PubChem (CID 58160428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).