(3S)-3-but-1-en-2-yl-1-methylpyrrolidine

C9H17N — CID 89049439

IUPAC(3S)-3-but-1-en-2-yl-1-methylpyrrolidine
SMILESC=C(CC)[C@@H]1CCN(C)C1
InChIInChI=1S/C9H17N/c1-4-8(2)9-5-6-10(3)7-9/h9H,2,4-7H2,1,3H3/t9-/m1/s1
InChIKeyOYTSSJGCDTXMAM-SECBINFHSA-N
MW139.24 g/mol
LogP1.90
Rot. Bonds2

About (3S)-3-but-1-en-2-yl-1-methylpyrrolidine

(3S)-3-but-1-en-2-yl-1-methylpyrrolidine (PubChem CID 89049439) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (3S)-3-but-1-en-2-yl-1-methylpyrrolidine.

Molecular Properties

Compound Name(3S)-3-but-1-en-2-yl-1-methylpyrrolidine
PubChem CID89049439
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(3S)-3-but-1-en-2-yl-1-methylpyrrolidine
SMILESC=C(CC)[C@@H]1CCN(C)C1
InChIInChI=1S/C9H17N/c1-4-8(2)9-5-6-10(3)7-9/h9H,2,4-7H2,1,3H3/t9-/m1/s1
InChIKeyOYTSSJGCDTXMAM-SECBINFHSA-N
XLogP1.90
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 ≤ 51.90
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 (3S)-3-but-1-en-2-yl-1-methylpyrrolidine?
The IUPAC name of (3S)-3-but-1-en-2-yl-1-methylpyrrolidine (CID 89049439) is (3S)-3-but-1-en-2-yl-1-methylpyrrolidine.
What is the SMILES notation for (3S)-3-but-1-en-2-yl-1-methylpyrrolidine?
The canonical SMILES for (3S)-3-but-1-en-2-yl-1-methylpyrrolidine is C=C(CC)[C@@H]1CCN(C)C1.
What is the InChIKey of (3S)-3-but-1-en-2-yl-1-methylpyrrolidine?
The InChIKey is OYTSSJGCDTXMAM-SECBINFHSA-N. The full InChI is InChI=1S/C9H17N/c1-4-8(2)9-5-6-10(3)7-9/h9H,2,4-7H2,1,3H3/t9-/m1/s1.
What are the key properties of (3S)-3-but-1-en-2-yl-1-methylpyrrolidine?
(3S)-3-but-1-en-2-yl-1-methylpyrrolidine has a molecular weight of 139.24 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-but-1-en-2-yl-1-methylpyrrolidine is sourced from PubChem (CID 89049439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).