[5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane

C24H28NOP — CID 70940383

IUPAC[5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane
SMILESCOC[C@@H]1CCCN1CC1C=CC=C1P(c1ccccc1)c1ccccc1
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/h2-8,10,12-16,20-21H,9,11,17-19H2,1H3/t20?,21-/m0/s1
InChIKeyBRHJMUBXTIKZAJ-LBAQZLPGSA-N
MW377.47 g/mol
LogP4.30
Rot. Bonds7

About [5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane

[5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane (PubChem CID 70940383) has the molecular formula C24H28NOP and a molecular weight of 377.47 g/mol. Its IUPAC name is [5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane.

Molecular Properties

Compound Name[5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane
PubChem CID70940383
Molecular FormulaC24H28NOP
Molecular Weight377.47 g/mol
Exact Mass377.19
IUPAC Name[5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane
SMILESCOC[C@@H]1CCCN1CC1C=CC=C1P(c1ccccc1)c1ccccc1
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/h2-8,10,12-16,20-21H,9,11,17-19H2,1H3/t20?,21-/m0/s1
InChIKeyBRHJMUBXTIKZAJ-LBAQZLPGSA-N
XLogP4.30
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 ≤ 54.30
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

CID 58903834
CID 58903834
(2S)-1-(cyclopropylmethyl)-2-(methoxymethyl)pyrrolidine
CID 142484052
(2S)-2-(methoxymethyl)-1-(3-phenoxypropyl)pyrrolidine
CID 141200367
[(1R,2R)-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide
CID 87106744
[(1R,2R)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide
CID 87107130
[2-[1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-3-methylcyclopentyl]-diphenylphosphane
CID 162269645
[2-[(1S)-1-[2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentyl]-diphenylphosphane
CID 58160428
[2-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]boronic acid
CID 71150761
1-benzyl-3-[[4-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]methyl]urea
CID 6694486
(2R)-1-ethyl-2-(methoxymethyl)pyrrolidine
CID 59678139
benzyl-[(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)methyl]-dimethylazanium
CID 101238580
2-(methoxymethyl)-N-phenylpyrrolidin-1-amine
CID 91183641

Frequently Asked Questions

What is the IUPAC name of [5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane?
The IUPAC name of [5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane (CID 70940383) is [5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane.
What is the SMILES notation for [5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane?
The canonical SMILES for [5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane is COC[C@@H]1CCCN1CC1C=CC=C1P(c1ccccc1)c1ccccc1.
What is the InChIKey of [5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane?
The InChIKey is BRHJMUBXTIKZAJ-LBAQZLPGSA-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/h2-8,10,12-16,20-21H,9,11,17-19H2,1H3/t20?,21-/m0/s1.
What are the key properties of [5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane?
[5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane has a molecular weight of 377.47 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane is sourced from PubChem (CID 70940383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).