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

C24H28NOP — CID 89435331

IUPAC[2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopenta-1,4-dien-1-yl]-diphenylphosphane
SMILESCOC[C@@H]1CCCN1CC1=C(P(c2ccccc2)c2ccccc2)C=CC1
InChIInChI=1S/C24H28NOP/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/h2-8,12-16,21H,9-11,17-19H2,1H3/t21-/m0/s1
InChIKeyVKNKFVLMGAJVDS-NRFANRHFSA-N
MW377.47 g/mol
LogP4.44
Rot. Bonds7

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

[2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopenta-1,4-dien-1-yl]-diphenylphosphane (PubChem CID 89435331) has the molecular formula C24H28NOP and a molecular weight of 377.47 g/mol. Its IUPAC name is [2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopenta-1,4-dien-1-yl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopenta-1,4-dien-1-yl]-diphenylphosphane
PubChem CID89435331
Molecular FormulaC24H28NOP
Molecular Weight377.47 g/mol
Exact Mass377.19
IUPAC Name[2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopenta-1,4-dien-1-yl]-diphenylphosphane
SMILESCOC[C@@H]1CCCN1CC1=C(P(c2ccccc2)c2ccccc2)C=CC1
InChIInChI=1S/C24H28NOP/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/h2-8,12-16,21H,9-11,17-19H2,1H3/t21-/m0/s1
InChIKeyVKNKFVLMGAJVDS-NRFANRHFSA-N
XLogP4.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopenta-1,4-dien-1-yl]-diphenylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopenta-1,4-dien-1-yl]-diphenylphosphane?
The IUPAC name of [2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopenta-1,4-dien-1-yl]-diphenylphosphane (CID 89435331) is [2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopenta-1,4-dien-1-yl]-diphenylphosphane.
What is the SMILES notation for [2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopenta-1,4-dien-1-yl]-diphenylphosphane?
The canonical SMILES for [2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopenta-1,4-dien-1-yl]-diphenylphosphane is COC[C@@H]1CCCN1CC1=C(P(c2ccccc2)c2ccccc2)C=CC1.
What is the InChIKey of [2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopenta-1,4-dien-1-yl]-diphenylphosphane?
The InChIKey is VKNKFVLMGAJVDS-NRFANRHFSA-N. The full InChI is InChI=1S/C24H28NOP/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/h2-8,12-16,21H,9-11,17-19H2,1H3/t21-/m0/s1.
What are the key properties of [2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopenta-1,4-dien-1-yl]-diphenylphosphane?
[2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopenta-1,4-dien-1-yl]-diphenylphosphane has a molecular weight of 377.47 g/mol, XLogP of 4.44, 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]cyclopenta-1,4-dien-1-yl]-diphenylphosphane is sourced from PubChem (CID 89435331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).