(5-tert-butylpyrrolidin-3-yl)-methylphosphane

C9H20NP — CID 146297937

IUPAC(5-tert-butylpyrrolidin-3-yl)-methylphosphane
SMILESCPC1CNC(C(C)(C)C)C1
InChIInChI=1S/C9H20NP/c1-9(2,3)8-5-7(11-4)6-10-8/h7-8,10-11H,5-6H2,1-4H3
InChIKeyFALUDLVTHGLFRY-UHFFFAOYSA-N
MW173.24 g/mol
LogP2.07
Rot. Bonds1

About (5-tert-butylpyrrolidin-3-yl)-methylphosphane

(5-tert-butylpyrrolidin-3-yl)-methylphosphane (PubChem CID 146297937) has the molecular formula C9H20NP and a molecular weight of 173.24 g/mol. Its IUPAC name is (5-tert-butylpyrrolidin-3-yl)-methylphosphane.

Molecular Properties

Compound Name(5-tert-butylpyrrolidin-3-yl)-methylphosphane
PubChem CID146297937
Molecular FormulaC9H20NP
Molecular Weight173.24 g/mol
Exact Mass173.13
IUPAC Name(5-tert-butylpyrrolidin-3-yl)-methylphosphane
SMILESCPC1CNC(C(C)(C)C)C1
InChIInChI=1S/C9H20NP/c1-9(2,3)8-5-7(11-4)6-10-8/h7-8,10-11H,5-6H2,1-4H3
InChIKeyFALUDLVTHGLFRY-UHFFFAOYSA-N
XLogP2.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 52.07
H-Bond Donors ≤ 51
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 (5-tert-butylpyrrolidin-3-yl)-methylphosphane?
The IUPAC name of (5-tert-butylpyrrolidin-3-yl)-methylphosphane (CID 146297937) is (5-tert-butylpyrrolidin-3-yl)-methylphosphane.
What is the SMILES notation for (5-tert-butylpyrrolidin-3-yl)-methylphosphane?
The canonical SMILES for (5-tert-butylpyrrolidin-3-yl)-methylphosphane is CPC1CNC(C(C)(C)C)C1.
What is the InChIKey of (5-tert-butylpyrrolidin-3-yl)-methylphosphane?
The InChIKey is FALUDLVTHGLFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NP/c1-9(2,3)8-5-7(11-4)6-10-8/h7-8,10-11H,5-6H2,1-4H3.
What are the key properties of (5-tert-butylpyrrolidin-3-yl)-methylphosphane?
(5-tert-butylpyrrolidin-3-yl)-methylphosphane has a molecular weight of 173.24 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butylpyrrolidin-3-yl)-methylphosphane is sourced from PubChem (CID 146297937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).