2-dimethylphosphorylpyrrolidine;hydrochloride

C6H15ClNOP — CID 138987795

IUPAC2-dimethylphosphorylpyrrolidine;hydrochloride
SMILESCP(C)(=O)C1CCCN1.Cl
InChIInChI=1S/C6H14NOP.ClH/c1-9(2,8)6-4-3-5-7-6;/h6-7H,3-5H2,1-2H3;1H
InChIKeyPRBVXOUMQHHKLD-UHFFFAOYSA-N
MW183.62 g/mol
LogP1.74
Rot. Bonds1

About 2-dimethylphosphorylpyrrolidine;hydrochloride

2-dimethylphosphorylpyrrolidine;hydrochloride (PubChem CID 138987795) has the molecular formula C6H15ClNOP and a molecular weight of 183.62 g/mol. Its IUPAC name is 2-dimethylphosphorylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-dimethylphosphorylpyrrolidine;hydrochloride
PubChem CID138987795
Molecular FormulaC6H15ClNOP
Molecular Weight183.62 g/mol
Exact Mass183.06
IUPAC Name2-dimethylphosphorylpyrrolidine;hydrochloride
SMILESCP(C)(=O)C1CCCN1.Cl
InChIInChI=1S/C6H14NOP.ClH/c1-9(2,8)6-4-3-5-7-6;/h6-7H,3-5H2,1-2H3;1H
InChIKeyPRBVXOUMQHHKLD-UHFFFAOYSA-N
XLogP1.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.62
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-pyrrolidin-2-yl]phosphonic acid
CID 53355435
(2R)-2-diethoxyphosphorylpyrrolidine
CID 10727017
pyrrolidin-2-ylphosphonic acid;hydrate
CID 168869998
[(2S)-piperidin-2-yl]phosphonic acid
CID 11829783
piperidin-2-ylphosphonic acid
CID 2785326
2-methylpyrrolidine
CID 13003
2-methylpyrrolidine
CID 142041388
(2-methylpiperidin-3-yl)phosphonic acid
CID 138723768
7-methyl-2-azabicyclo[4.1.0]heptane
CID 117045891
methanethiol;pyrrolidine-2-carboxylic acid
CID 156719137
(6S)-7,8-dimethyl-2-azabicyclo[4.2.0]octane
CID 155110799
(3-methylpiperidin-2-yl)methanol;hydrochloride
CID 71756911

Frequently Asked Questions

What is the IUPAC name of 2-dimethylphosphorylpyrrolidine;hydrochloride?
The IUPAC name of 2-dimethylphosphorylpyrrolidine;hydrochloride (CID 138987795) is 2-dimethylphosphorylpyrrolidine;hydrochloride.
What is the SMILES notation for 2-dimethylphosphorylpyrrolidine;hydrochloride?
The canonical SMILES for 2-dimethylphosphorylpyrrolidine;hydrochloride is CP(C)(=O)C1CCCN1.Cl.
What is the InChIKey of 2-dimethylphosphorylpyrrolidine;hydrochloride?
The InChIKey is PRBVXOUMQHHKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NOP.ClH/c1-9(2,8)6-4-3-5-7-6;/h6-7H,3-5H2,1-2H3;1H.
What are the key properties of 2-dimethylphosphorylpyrrolidine;hydrochloride?
2-dimethylphosphorylpyrrolidine;hydrochloride has a molecular weight of 183.62 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylphosphorylpyrrolidine;hydrochloride is sourced from PubChem (CID 138987795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).