1-methylpyrrolidine;phosphane

C5H14NP — CID 159655297

IUPAC1-methylpyrrolidine;phosphane
SMILESCN1CCCC1.P
InChIInChI=1S/C5H11N.H3P/c1-6-4-2-3-5-6;/h2-5H2,1H3;1H3
InChIKeyQOKVOYFIVHMPSL-UHFFFAOYSA-N
MW119.15 g/mol
LogP0.77
Rot. Bonds

About 1-methylpyrrolidine;phosphane

1-methylpyrrolidine;phosphane (PubChem CID 159655297) has the molecular formula C5H14NP and a molecular weight of 119.15 g/mol. Its IUPAC name is 1-methylpyrrolidine;phosphane.

Molecular Properties

Compound Name1-methylpyrrolidine;phosphane
PubChem CID159655297
Molecular FormulaC5H14NP
Molecular Weight119.15 g/mol
Exact Mass119.09
IUPAC Name1-methylpyrrolidine;phosphane
SMILESCN1CCCC1.P
InChIInChI=1S/C5H11N.H3P/c1-6-4-2-3-5-6;/h2-5H2,1H3;1H3
InChIKeyQOKVOYFIVHMPSL-UHFFFAOYSA-N
XLogP0.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.15
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methylpiperidine
CID 160757527
CID 172772830
CID 172772830
1-methylpiperidine
CID 90254979
ethane;bis(1-methylpyrrolidine)
CID 153385238
ethane;1-methylazonane
CID 145157770
methane;1-methylpiperidine;bis(1-methylpyrrolidine)
CID 158442091
CID 68772535
CID 68772535
methane;tris(1-methylpiperidine)
CID 162076357
cyclohexane;cyclopentane;ethane;bis(1-methylpiperidine);bis(1-methylpyrrolidine)
CID 161378363
lithium;alumane;hydride;1-methylpyrrolidine
CID 173234633
methanamine;1-methylazepane
CID 142229560
1,4-dimethylpiperazine;ethane;1-methylpiperidine
CID 170707096

Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrolidine;phosphane?
The IUPAC name of 1-methylpyrrolidine;phosphane (CID 159655297) is 1-methylpyrrolidine;phosphane.
What is the SMILES notation for 1-methylpyrrolidine;phosphane?
The canonical SMILES for 1-methylpyrrolidine;phosphane is CN1CCCC1.P.
What is the InChIKey of 1-methylpyrrolidine;phosphane?
The InChIKey is QOKVOYFIVHMPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.H3P/c1-6-4-2-3-5-6;/h2-5H2,1H3;1H3.
What are the key properties of 1-methylpyrrolidine;phosphane?
1-methylpyrrolidine;phosphane has a molecular weight of 119.15 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidine;phosphane is sourced from PubChem (CID 159655297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).