(2S)-2-(3-methylbut-1-en-2-yl)pyrrolidine

C9H17N — CID 58274586

IUPAC(2S)-2-(3-methylbut-1-en-2-yl)pyrrolidine
SMILESC=C(C(C)C)[C@@H]1CCCN1
InChIInChI=1S/C9H17N/c1-7(2)8(3)9-5-4-6-10-9/h7,9-10H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyKHTXDGJFOXZVNL-VIFPVBQESA-N
MW139.24 g/mol
LogP1.95
Rot. Bonds2

About (2S)-2-(3-methylbut-1-en-2-yl)pyrrolidine

(2S)-2-(3-methylbut-1-en-2-yl)pyrrolidine (PubChem CID 58274586) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (2S)-2-(3-methylbut-1-en-2-yl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(3-methylbut-1-en-2-yl)pyrrolidine
PubChem CID58274586
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(2S)-2-(3-methylbut-1-en-2-yl)pyrrolidine
SMILESC=C(C(C)C)[C@@H]1CCCN1
InChIInChI=1S/C9H17N/c1-7(2)8(3)9-5-4-6-10-9/h7,9-10H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyKHTXDGJFOXZVNL-VIFPVBQESA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
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 (2S)-2-(3-methylbut-1-en-2-yl)pyrrolidine?
The IUPAC name of (2S)-2-(3-methylbut-1-en-2-yl)pyrrolidine (CID 58274586) is (2S)-2-(3-methylbut-1-en-2-yl)pyrrolidine.
What is the SMILES notation for (2S)-2-(3-methylbut-1-en-2-yl)pyrrolidine?
The canonical SMILES for (2S)-2-(3-methylbut-1-en-2-yl)pyrrolidine is C=C(C(C)C)[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-(3-methylbut-1-en-2-yl)pyrrolidine?
The InChIKey is KHTXDGJFOXZVNL-VIFPVBQESA-N. The full InChI is InChI=1S/C9H17N/c1-7(2)8(3)9-5-4-6-10-9/h7,9-10H,3-6H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-2-(3-methylbut-1-en-2-yl)pyrrolidine?
(2S)-2-(3-methylbut-1-en-2-yl)pyrrolidine has a molecular weight of 139.24 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methylbut-1-en-2-yl)pyrrolidine is sourced from PubChem (CID 58274586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).