methyl(pyrrolidin-1-yl)phosphane

C5H12NP — CID 18737203

IUPACmethyl(pyrrolidin-1-yl)phosphane
SMILESCPN1CCCC1
InChIInChI=1S/C5H12NP/c1-7-6-4-2-3-5-6/h7H,2-5H2,1H3
InChIKeyKJNXFNDLEUTSQM-UHFFFAOYSA-N
MW117.13 g/mol
LogP1.31
Rot. Bonds1

About methyl(pyrrolidin-1-yl)phosphane

methyl(pyrrolidin-1-yl)phosphane (PubChem CID 18737203) has the molecular formula C5H12NP and a molecular weight of 117.13 g/mol. Its IUPAC name is methyl(pyrrolidin-1-yl)phosphane.

Molecular Properties

Compound Namemethyl(pyrrolidin-1-yl)phosphane
PubChem CID18737203
Molecular FormulaC5H12NP
Molecular Weight117.13 g/mol
Exact Mass117.07
IUPAC Namemethyl(pyrrolidin-1-yl)phosphane
SMILESCPN1CCCC1
InChIInChI=1S/C5H12NP/c1-7-6-4-2-3-5-6/h7H,2-5H2,1H3
InChIKeyKJNXFNDLEUTSQM-UHFFFAOYSA-N
XLogP1.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.13
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl(pyrrolidin-1-yl)phosphane?
The IUPAC name of methyl(pyrrolidin-1-yl)phosphane (CID 18737203) is methyl(pyrrolidin-1-yl)phosphane.
What is the SMILES notation for methyl(pyrrolidin-1-yl)phosphane?
The canonical SMILES for methyl(pyrrolidin-1-yl)phosphane is CPN1CCCC1.
What is the InChIKey of methyl(pyrrolidin-1-yl)phosphane?
The InChIKey is KJNXFNDLEUTSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NP/c1-7-6-4-2-3-5-6/h7H,2-5H2,1H3.
What are the key properties of methyl(pyrrolidin-1-yl)phosphane?
methyl(pyrrolidin-1-yl)phosphane has a molecular weight of 117.13 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(pyrrolidin-1-yl)phosphane is sourced from PubChem (CID 18737203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).