1,2-dipyrrolidin-1-ylbut-1-enylphosphane

C12H23N2P — CID 90010353

IUPAC1,2-dipyrrolidin-1-ylbut-1-enylphosphane
SMILESCCC(=C(P)N1CCCC1)N1CCCC1
InChIInChI=1S/C12H23N2P/c1-2-11(13-7-3-4-8-13)12(15)14-9-5-6-10-14/h2-10,15H2,1H3
InChIKeyOBNSIUHMBPIGLL-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.63
Rot. Bonds3

About 1,2-dipyrrolidin-1-ylbut-1-enylphosphane

1,2-dipyrrolidin-1-ylbut-1-enylphosphane (PubChem CID 90010353) has the molecular formula C12H23N2P and a molecular weight of 226.30 g/mol. Its IUPAC name is 1,2-dipyrrolidin-1-ylbut-1-enylphosphane.

Molecular Properties

Compound Name1,2-dipyrrolidin-1-ylbut-1-enylphosphane
PubChem CID90010353
Molecular FormulaC12H23N2P
Molecular Weight226.30 g/mol
Exact Mass226.16
IUPAC Name1,2-dipyrrolidin-1-ylbut-1-enylphosphane
SMILESCCC(=C(P)N1CCCC1)N1CCCC1
InChIInChI=1S/C12H23N2P/c1-2-11(13-7-3-4-8-13)12(15)14-9-5-6-10-14/h2-10,15H2,1H3
InChIKeyOBNSIUHMBPIGLL-UHFFFAOYSA-N
XLogP2.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 146415893
1-(azepan-1-yl)propan-1-one
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ethane;(Z)-3-piperidin-1-yl-2-[(Z)-prop-1-enyl]pent-2-en-1-amine
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ethene;1-pyrrolidin-1-ylpropan-1-one
CID 158024233
methane;bis(1-piperidin-1-ylpropan-1-one);1-pyrrolidin-1-ylpropan-1-one
CID 158630764
propane;1-pyrrolidin-1-ylethanone
CID 143432619
1-(azepan-1-yl)-N-methylpropan-1-imine
CID 123959692
1-[(E)-pent-2-en-3-yl]azetidine
CID 5463543
formic acid;1-pyrrolidin-1-ylpropan-1-one
CID 142278991
1-hex-1-en-2-ylpyrrolidine
CID 18511208
propanoyl piperidine-1-carboxylate
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ethyl pyrrolidine-1-carbodithioate
CID 14287987

Frequently Asked Questions

What is the IUPAC name of 1,2-dipyrrolidin-1-ylbut-1-enylphosphane?
The IUPAC name of 1,2-dipyrrolidin-1-ylbut-1-enylphosphane (CID 90010353) is 1,2-dipyrrolidin-1-ylbut-1-enylphosphane.
What is the SMILES notation for 1,2-dipyrrolidin-1-ylbut-1-enylphosphane?
The canonical SMILES for 1,2-dipyrrolidin-1-ylbut-1-enylphosphane is CCC(=C(P)N1CCCC1)N1CCCC1.
What is the InChIKey of 1,2-dipyrrolidin-1-ylbut-1-enylphosphane?
The InChIKey is OBNSIUHMBPIGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N2P/c1-2-11(13-7-3-4-8-13)12(15)14-9-5-6-10-14/h2-10,15H2,1H3.
What are the key properties of 1,2-dipyrrolidin-1-ylbut-1-enylphosphane?
1,2-dipyrrolidin-1-ylbut-1-enylphosphane has a molecular weight of 226.30 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dipyrrolidin-1-ylbut-1-enylphosphane is sourced from PubChem (CID 90010353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).