1-[2,5-bis(ethenyl)pyrrolidin-1-yl]-2-methylbut-2-en-1-imine

C13H20N2 — CID 123635820

IUPAC1-[2,5-bis(ethenyl)pyrrolidin-1-yl]-2-methylbut-2-en-1-imine
SMILES[H]/N=C(\C(C)=CC)N1C(C=C)CCC1C=C
InChIInChI=1S/C13H20N2/c1-5-10(4)13(14)15-11(6-2)8-9-12(15)7-3/h5-7,11-12,14H,2-3,8-9H2,1,4H3/b10-5?,14-13+
InChIKeyUUPYCEYXJBSMGA-SXJPIFSCSA-N
MW204.32 g/mol
LogP3.13
Rot. Bonds3

About 1-[2,5-bis(ethenyl)pyrrolidin-1-yl]-2-methylbut-2-en-1-imine

1-[2,5-bis(ethenyl)pyrrolidin-1-yl]-2-methylbut-2-en-1-imine (PubChem CID 123635820) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-[2,5-bis(ethenyl)pyrrolidin-1-yl]-2-methylbut-2-en-1-imine.

Molecular Properties

Compound Name1-[2,5-bis(ethenyl)pyrrolidin-1-yl]-2-methylbut-2-en-1-imine
PubChem CID123635820
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-[2,5-bis(ethenyl)pyrrolidin-1-yl]-2-methylbut-2-en-1-imine
SMILES[H]/N=C(\C(C)=CC)N1C(C=C)CCC1C=C
InChIInChI=1S/C13H20N2/c1-5-10(4)13(14)15-11(6-2)8-9-12(15)7-3/h5-7,11-12,14H,2-3,8-9H2,1,4H3/b10-5?,14-13+
InChIKeyUUPYCEYXJBSMGA-SXJPIFSCSA-N
XLogP3.13
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2,5-bis(ethenyl)pyrrolidin-1-yl]-2-methylbut-2-en-1-imine?
The IUPAC name of 1-[2,5-bis(ethenyl)pyrrolidin-1-yl]-2-methylbut-2-en-1-imine (CID 123635820) is 1-[2,5-bis(ethenyl)pyrrolidin-1-yl]-2-methylbut-2-en-1-imine.
What is the SMILES notation for 1-[2,5-bis(ethenyl)pyrrolidin-1-yl]-2-methylbut-2-en-1-imine?
The canonical SMILES for 1-[2,5-bis(ethenyl)pyrrolidin-1-yl]-2-methylbut-2-en-1-imine is [H]/N=C(\C(C)=CC)N1C(C=C)CCC1C=C.
What is the InChIKey of 1-[2,5-bis(ethenyl)pyrrolidin-1-yl]-2-methylbut-2-en-1-imine?
The InChIKey is UUPYCEYXJBSMGA-SXJPIFSCSA-N. The full InChI is InChI=1S/C13H20N2/c1-5-10(4)13(14)15-11(6-2)8-9-12(15)7-3/h5-7,11-12,14H,2-3,8-9H2,1,4H3/b10-5?,14-13+.
What are the key properties of 1-[2,5-bis(ethenyl)pyrrolidin-1-yl]-2-methylbut-2-en-1-imine?
1-[2,5-bis(ethenyl)pyrrolidin-1-yl]-2-methylbut-2-en-1-imine has a molecular weight of 204.32 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-bis(ethenyl)pyrrolidin-1-yl]-2-methylbut-2-en-1-imine is sourced from PubChem (CID 123635820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).