2-[(E)-2-methylbut-1-enyl]pyrrolidine

C9H17N — CID 55300541

IUPAC2-[(E)-2-methylbut-1-enyl]pyrrolidine
SMILESCC/C(C)=C/C1CCCN1
InChIInChI=1S/C9H17N/c1-3-8(2)7-9-5-4-6-10-9/h7,9-10H,3-6H2,1-2H3/b8-7+
InChIKeyYWJYSTPHIYEULK-BQYQJAHWSA-N
MW139.24 g/mol
LogP2.09
Rot. Bonds2

About 2-[(E)-2-methylbut-1-enyl]pyrrolidine

2-[(E)-2-methylbut-1-enyl]pyrrolidine (PubChem CID 55300541) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-[(E)-2-methylbut-1-enyl]pyrrolidine.

Molecular Properties

Compound Name2-[(E)-2-methylbut-1-enyl]pyrrolidine
PubChem CID55300541
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-[(E)-2-methylbut-1-enyl]pyrrolidine
SMILESCC/C(C)=C/C1CCCN1
InChIInChI=1S/C9H17N/c1-3-8(2)7-9-5-4-6-10-9/h7,9-10H,3-6H2,1-2H3/b8-7+
InChIKeyYWJYSTPHIYEULK-BQYQJAHWSA-N
XLogP2.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 22297
CID 22297
CID 22549
CID 22549
CID 24871315
CID 24871315
CID 23646101
CID 23646101
CID 2859356
CID 2859356
CID 141815373
CID 141815373
CID 6604597
CID 6604597
CID 2063692
CID 2063692
CID 20850
CID 20850
CID 164611765
CID 164611765
CID 164620837
CID 164620837
CID 23423762
CID 23423762

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-methylbut-1-enyl]pyrrolidine?
The IUPAC name of 2-[(E)-2-methylbut-1-enyl]pyrrolidine (CID 55300541) is 2-[(E)-2-methylbut-1-enyl]pyrrolidine.
What is the SMILES notation for 2-[(E)-2-methylbut-1-enyl]pyrrolidine?
The canonical SMILES for 2-[(E)-2-methylbut-1-enyl]pyrrolidine is CC/C(C)=C/C1CCCN1.
What is the InChIKey of 2-[(E)-2-methylbut-1-enyl]pyrrolidine?
The InChIKey is YWJYSTPHIYEULK-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H17N/c1-3-8(2)7-9-5-4-6-10-9/h7,9-10H,3-6H2,1-2H3/b8-7+.
What are the key properties of 2-[(E)-2-methylbut-1-enyl]pyrrolidine?
2-[(E)-2-methylbut-1-enyl]pyrrolidine has a molecular weight of 139.24 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-methylbut-1-enyl]pyrrolidine is sourced from PubChem (CID 55300541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).