1-benzyl-2-diethoxyphosphorylpyrrolidine

C15H24NO3P — CID 12765070

IUPAC1-benzyl-2-diethoxyphosphorylpyrrolidine
SMILESCCOP(=O)(OCC)C1CCCN1Cc1ccccc1
InChIInChI=1S/C15H24NO3P/c1-3-18-20(17,19-4-2)15-11-8-12-16(15)13-14-9-6-5-7-10-14/h5-7,9-10,15H,3-4,8,11-13H2,1-2H3
InChIKeyQLXLMJAWDZUWSX-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.87
Rot. Bonds7

About 1-benzyl-2-diethoxyphosphorylpyrrolidine

1-benzyl-2-diethoxyphosphorylpyrrolidine (PubChem CID 12765070) has the molecular formula C15H24NO3P and a molecular weight of 297.33 g/mol. Its IUPAC name is 1-benzyl-2-diethoxyphosphorylpyrrolidine.

Molecular Properties

Compound Name1-benzyl-2-diethoxyphosphorylpyrrolidine
PubChem CID12765070
Molecular FormulaC15H24NO3P
Molecular Weight297.33 g/mol
Exact Mass297.15
IUPAC Name1-benzyl-2-diethoxyphosphorylpyrrolidine
SMILESCCOP(=O)(OCC)C1CCCN1Cc1ccccc1
InChIInChI=1S/C15H24NO3P/c1-3-18-20(17,19-4-2)15-11-8-12-16(15)13-14-9-6-5-7-10-14/h5-7,9-10,15H,3-4,8,11-13H2,1-2H3
InChIKeyQLXLMJAWDZUWSX-UHFFFAOYSA-N
XLogP3.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-benzyl-2-diethoxyphosphorylpyrrolidine with MolForge

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

Launch Full Analysis

Related Compounds

4-[(2-diethoxyphosphorylpyrrolidin-1-yl)methyl]benzonitrile
CID 53468355
2-diethoxyphosphoryl-1-phenylpyrrolidine
CID 134967267
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
5-diethoxyphosphoryl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
CID 3848592
2-(1-benzyl-2-ethylpiperidin-3-yl)acetic acid
CID 18928668
ethyl (E)-3-[(2R)-1-benzylpyrrolidin-2-yl]prop-2-enoate
CID 100980748
1-benzyl-2-methoxypiperidin-3-ol
CID 70527191
(2S)-1-benzyl-2-(dimethoxymethyl)pyrrolidine
CID 11715624
methyl 1-benzyl-2-deuteriopyrrolidine-2-carboxylate
CID 132570943
ethyl N-[(1-benzylpyrrolidine-2-carbonyl)amino]carbamate
CID 60579128
2-benzyl-5-diethoxyphosphoryl-3-phenyl-1,2-oxazolidine
CID 15180764
1-benzyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidine;ethane
CID 123575402

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-diethoxyphosphorylpyrrolidine?
The IUPAC name of 1-benzyl-2-diethoxyphosphorylpyrrolidine (CID 12765070) is 1-benzyl-2-diethoxyphosphorylpyrrolidine.
What is the SMILES notation for 1-benzyl-2-diethoxyphosphorylpyrrolidine?
The canonical SMILES for 1-benzyl-2-diethoxyphosphorylpyrrolidine is CCOP(=O)(OCC)C1CCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-diethoxyphosphorylpyrrolidine?
The InChIKey is QLXLMJAWDZUWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24NO3P/c1-3-18-20(17,19-4-2)15-11-8-12-16(15)13-14-9-6-5-7-10-14/h5-7,9-10,15H,3-4,8,11-13H2,1-2H3.
What are the key properties of 1-benzyl-2-diethoxyphosphorylpyrrolidine?
1-benzyl-2-diethoxyphosphorylpyrrolidine has a molecular weight of 297.33 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-diethoxyphosphorylpyrrolidine is sourced from PubChem (CID 12765070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).