1-(3-methylbut-2-enyl)pyrrolidine

C9H17N — CID 15921204

IUPAC1-(3-methylbut-2-enyl)pyrrolidine
SMILESCC(C)=CCN1CCCC1
InChIInChI=1S/C9H17N/c1-9(2)5-8-10-6-3-4-7-10/h5H,3-4,6-8H2,1-2H3
InChIKeyNNUSNZZRSDMMLP-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.05
Rot. Bonds2

About 1-(3-methylbut-2-enyl)pyrrolidine

1-(3-methylbut-2-enyl)pyrrolidine (PubChem CID 15921204) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)pyrrolidine
PubChem CID15921204
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1-(3-methylbut-2-enyl)pyrrolidine
SMILESCC(C)=CCN1CCCC1
InChIInChI=1S/C9H17N/c1-9(2)5-8-10-6-3-4-7-10/h5H,3-4,6-8H2,1-2H3
InChIKeyNNUSNZZRSDMMLP-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 1-(3-methylbut-2-enyl)pyrrolidine?
The IUPAC name of 1-(3-methylbut-2-enyl)pyrrolidine (CID 15921204) is 1-(3-methylbut-2-enyl)pyrrolidine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)pyrrolidine?
The canonical SMILES for 1-(3-methylbut-2-enyl)pyrrolidine is CC(C)=CCN1CCCC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)pyrrolidine?
The InChIKey is NNUSNZZRSDMMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-9(2)5-8-10-6-3-4-7-10/h5H,3-4,6-8H2,1-2H3.
What are the key properties of 1-(3-methylbut-2-enyl)pyrrolidine?
1-(3-methylbut-2-enyl)pyrrolidine 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 1-(3-methylbut-2-enyl)pyrrolidine is sourced from PubChem (CID 15921204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).