2-but-1-en-2-yl-1-methylpyrrolidine

C9H17N — CID 129171776

IUPAC2-but-1-en-2-yl-1-methylpyrrolidine
SMILESC=C(CC)C1CCCN1C
InChIInChI=1S/C9H17N/c1-4-8(2)9-6-5-7-10(9)3/h9H,2,4-7H2,1,3H3
InChIKeyXSUFAAFNMVLLMQ-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.05
Rot. Bonds2

About 2-but-1-en-2-yl-1-methylpyrrolidine

2-but-1-en-2-yl-1-methylpyrrolidine (PubChem CID 129171776) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-but-1-en-2-yl-1-methylpyrrolidine.

Molecular Properties

Compound Name2-but-1-en-2-yl-1-methylpyrrolidine
PubChem CID129171776
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-but-1-en-2-yl-1-methylpyrrolidine
SMILESC=C(CC)C1CCCN1C
InChIInChI=1S/C9H17N/c1-4-8(2)9-6-5-7-10(9)3/h9H,2,4-7H2,1,3H3
InChIKeyXSUFAAFNMVLLMQ-UHFFFAOYSA-N
XLogP2.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-but-1-en-2-yl-1-methylpyrrolidine?
The IUPAC name of 2-but-1-en-2-yl-1-methylpyrrolidine (CID 129171776) is 2-but-1-en-2-yl-1-methylpyrrolidine.
What is the SMILES notation for 2-but-1-en-2-yl-1-methylpyrrolidine?
The canonical SMILES for 2-but-1-en-2-yl-1-methylpyrrolidine is C=C(CC)C1CCCN1C.
What is the InChIKey of 2-but-1-en-2-yl-1-methylpyrrolidine?
The InChIKey is XSUFAAFNMVLLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-4-8(2)9-6-5-7-10(9)3/h9H,2,4-7H2,1,3H3.
What are the key properties of 2-but-1-en-2-yl-1-methylpyrrolidine?
2-but-1-en-2-yl-1-methylpyrrolidine has a molecular weight of 139.24 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-en-2-yl-1-methylpyrrolidine is sourced from PubChem (CID 129171776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).