3-methylpyrrolidine;phosphinous acid

C5H14NOP — CID 142914115

IUPAC3-methylpyrrolidine;phosphinous acid
SMILESCC1CCNC1.OP
InChIInChI=1S/C5H11N.H3OP/c1-5-2-3-6-4-5;1-2/h5-6H,2-4H2,1H3;1H,2H2
InChIKeyPNQIABQRVGUDTO-UHFFFAOYSA-N
MW135.15 g/mol
LogP0.38
Rot. Bonds

About 3-methylpyrrolidine;phosphinous acid

3-methylpyrrolidine;phosphinous acid (PubChem CID 142914115) has the molecular formula C5H14NOP and a molecular weight of 135.15 g/mol. Its IUPAC name is 3-methylpyrrolidine;phosphinous acid.

Molecular Properties

Compound Name3-methylpyrrolidine;phosphinous acid
PubChem CID142914115
Molecular FormulaC5H14NOP
Molecular Weight135.15 g/mol
Exact Mass135.08
IUPAC Name3-methylpyrrolidine;phosphinous acid
SMILESCC1CCNC1.OP
InChIInChI=1S/C5H11N.H3OP/c1-5-2-3-6-4-5;1-2/h5-6H,2-4H2,1H3;1H,2H2
InChIKeyPNQIABQRVGUDTO-UHFFFAOYSA-N
XLogP0.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.15
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;methanol;3-methylpyrrolidine
CID 143573656
methanethiol;3-methylpyrrolidine;dihydrate
CID 169181440
formamide;3-methylpyrrolidine
CID 143474557
ethane;(3S)-3-methylpiperidine
CID 144634573
3-methylazepane
CID 14291801
ethane;2-methoxy-2-methylpropane;3-methylpyrrolidine;hydrate
CID 145463326
ethane;3-methylpiperidine;hydrate
CID 142361877
methanamine;3-methylpiperidine
CID 178081150
3-methylpyrrolidine;2,2,2-trifluoro-N-methylacetamide
CID 144537745
1,4-dimethylpiperidine;ethane;methanethiol;3-methylpyrrolidine
CID 143539499
ethene;4-methylpiperidine
CID 143316942
cyclopentane;4-methylpiperidine
CID 143138909

Frequently Asked Questions

What is the IUPAC name of 3-methylpyrrolidine;phosphinous acid?
The IUPAC name of 3-methylpyrrolidine;phosphinous acid (CID 142914115) is 3-methylpyrrolidine;phosphinous acid.
What is the SMILES notation for 3-methylpyrrolidine;phosphinous acid?
The canonical SMILES for 3-methylpyrrolidine;phosphinous acid is CC1CCNC1.OP.
What is the InChIKey of 3-methylpyrrolidine;phosphinous acid?
The InChIKey is PNQIABQRVGUDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.H3OP/c1-5-2-3-6-4-5;1-2/h5-6H,2-4H2,1H3;1H,2H2.
What are the key properties of 3-methylpyrrolidine;phosphinous acid?
3-methylpyrrolidine;phosphinous acid has a molecular weight of 135.15 g/mol, XLogP of 0.38, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpyrrolidine;phosphinous acid is sourced from PubChem (CID 142914115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).