butane;3,4-dimethylidenepyrrolidine

C10H19N — CID 144600231

IUPACbutane;3,4-dimethylidenepyrrolidine
SMILESC=C1CNCC1=C.CCCC
InChIInChI=1S/C6H9N.C4H10/c1-5-3-7-4-6(5)2;1-3-4-2/h7H,1-4H2;3-4H2,1-2H3
InChIKeyPHYGZGVKPDGKRP-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.51
Rot. Bonds1

About butane;3,4-dimethylidenepyrrolidine

butane;3,4-dimethylidenepyrrolidine (PubChem CID 144600231) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is butane;3,4-dimethylidenepyrrolidine.

Molecular Properties

Compound Namebutane;3,4-dimethylidenepyrrolidine
PubChem CID144600231
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Namebutane;3,4-dimethylidenepyrrolidine
SMILESC=C1CNCC1=C.CCCC
InChIInChI=1S/C6H9N.C4H10/c1-5-3-7-4-6(5)2;1-3-4-2/h7H,1-4H2;3-4H2,1-2H3
InChIKeyPHYGZGVKPDGKRP-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of butane;3,4-dimethylidenepyrrolidine?
The IUPAC name of butane;3,4-dimethylidenepyrrolidine (CID 144600231) is butane;3,4-dimethylidenepyrrolidine.
What is the SMILES notation for butane;3,4-dimethylidenepyrrolidine?
The canonical SMILES for butane;3,4-dimethylidenepyrrolidine is C=C1CNCC1=C.CCCC.
What is the InChIKey of butane;3,4-dimethylidenepyrrolidine?
The InChIKey is PHYGZGVKPDGKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.C4H10/c1-5-3-7-4-6(5)2;1-3-4-2/h7H,1-4H2;3-4H2,1-2H3.
What are the key properties of butane;3,4-dimethylidenepyrrolidine?
butane;3,4-dimethylidenepyrrolidine has a molecular weight of 153.27 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;3,4-dimethylidenepyrrolidine is sourced from PubChem (CID 144600231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).