[(1R)-2-[(1S)-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopenta-2,4-dien-1-yl]-diphenylphosphane

C25H30NOP — CID 89435332

IUPAC[(1R)-2-[(1S)-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopenta-2,4-dien-1-yl]-diphenylphosphane
SMILESCOC[C@H]1CCCN1[C@@H](C)C1=CC=C[C@H]1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H30NOP/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/h3-9,12-17,20-21,25H,10-11,18-19H2,1-2H3/t20-,21+,25+/m0/s1
InChIKeyLOZMVBWDFJTZJS-BPYKYCOYSA-N
MW391.50 g/mol
LogP4.48
Rot. Bonds7

About [(1R)-2-[(1S)-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopenta-2,4-dien-1-yl]-diphenylphosphane

[(1R)-2-[(1S)-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopenta-2,4-dien-1-yl]-diphenylphosphane (PubChem CID 89435332) has the molecular formula C25H30NOP and a molecular weight of 391.50 g/mol. Its IUPAC name is [(1R)-2-[(1S)-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopenta-2,4-dien-1-yl]-diphenylphosphane.

Molecular Properties

Compound Name[(1R)-2-[(1S)-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopenta-2,4-dien-1-yl]-diphenylphosphane
PubChem CID89435332
Molecular FormulaC25H30NOP
Molecular Weight391.50 g/mol
Exact Mass391.21
IUPAC Name[(1R)-2-[(1S)-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopenta-2,4-dien-1-yl]-diphenylphosphane
SMILESCOC[C@H]1CCCN1[C@@H](C)C1=CC=C[C@H]1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H30NOP/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/h3-9,12-17,20-21,25H,10-11,18-19H2,1-2H3/t20-,21+,25+/m0/s1
InChIKeyLOZMVBWDFJTZJS-BPYKYCOYSA-N
XLogP4.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.48
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 [(1R)-2-[(1S)-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopenta-2,4-dien-1-yl]-diphenylphosphane?
The IUPAC name of [(1R)-2-[(1S)-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopenta-2,4-dien-1-yl]-diphenylphosphane (CID 89435332) is [(1R)-2-[(1S)-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopenta-2,4-dien-1-yl]-diphenylphosphane.
What is the SMILES notation for [(1R)-2-[(1S)-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopenta-2,4-dien-1-yl]-diphenylphosphane?
The canonical SMILES for [(1R)-2-[(1S)-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopenta-2,4-dien-1-yl]-diphenylphosphane is COC[C@H]1CCCN1[C@@H](C)C1=CC=C[C@H]1P(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R)-2-[(1S)-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopenta-2,4-dien-1-yl]-diphenylphosphane?
The InChIKey is LOZMVBWDFJTZJS-BPYKYCOYSA-N. The full InChI is InChI=1S/C25H30NOP/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/h3-9,12-17,20-21,25H,10-11,18-19H2,1-2H3/t20-,21+,25+/m0/s1.
What are the key properties of [(1R)-2-[(1S)-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopenta-2,4-dien-1-yl]-diphenylphosphane?
[(1R)-2-[(1S)-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopenta-2,4-dien-1-yl]-diphenylphosphane has a molecular weight of 391.50 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-[(1S)-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopenta-2,4-dien-1-yl]-diphenylphosphane is sourced from PubChem (CID 89435332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).