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

C10H19N — CID 89426426

IUPAC1-methyl-2-(3-methylbut-3-enyl)pyrrolidine
SMILESC=C(C)CCC1CCCN1C
InChIInChI=1S/C10H19N/c1-9(2)6-7-10-5-4-8-11(10)3/h10H,1,4-8H2,2-3H3
InChIKeyPGHCTBHXIAVJBQ-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.44
Rot. Bonds3

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

1-methyl-2-(3-methylbut-3-enyl)pyrrolidine (PubChem CID 89426426) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 1-methyl-2-(3-methylbut-3-enyl)pyrrolidine.

Molecular Properties

Compound Name1-methyl-2-(3-methylbut-3-enyl)pyrrolidine
PubChem CID89426426
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name1-methyl-2-(3-methylbut-3-enyl)pyrrolidine
SMILESC=C(C)CCC1CCCN1C
InChIInChI=1S/C10H19N/c1-9(2)6-7-10-5-4-8-11(10)3/h10H,1,4-8H2,2-3H3
InChIKeyPGHCTBHXIAVJBQ-UHFFFAOYSA-N
XLogP2.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.44
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-methyl-2-(3-methylbut-3-enyl)pyrrolidine?
The IUPAC name of 1-methyl-2-(3-methylbut-3-enyl)pyrrolidine (CID 89426426) is 1-methyl-2-(3-methylbut-3-enyl)pyrrolidine.
What is the SMILES notation for 1-methyl-2-(3-methylbut-3-enyl)pyrrolidine?
The canonical SMILES for 1-methyl-2-(3-methylbut-3-enyl)pyrrolidine is C=C(C)CCC1CCCN1C.
What is the InChIKey of 1-methyl-2-(3-methylbut-3-enyl)pyrrolidine?
The InChIKey is PGHCTBHXIAVJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-9(2)6-7-10-5-4-8-11(10)3/h10H,1,4-8H2,2-3H3.
What are the key properties of 1-methyl-2-(3-methylbut-3-enyl)pyrrolidine?
1-methyl-2-(3-methylbut-3-enyl)pyrrolidine has a molecular weight of 153.27 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3-methylbut-3-enyl)pyrrolidine is sourced from PubChem (CID 89426426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).