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

C10H19N — CID 121451115

IUPAC2-methyl-3-(3-methylbut-2-enyl)pyrrolidine
SMILESCC(C)=CCC1CCNC1C
InChIInChI=1S/C10H19N/c1-8(2)4-5-10-6-7-11-9(10)3/h4,9-11H,5-7H2,1-3H3
InChIKeyADOMQRJBGZIZFC-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.34
Rot. Bonds2

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

2-methyl-3-(3-methylbut-2-enyl)pyrrolidine (PubChem CID 121451115) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2-methyl-3-(3-methylbut-2-enyl)pyrrolidine.

Molecular Properties

Compound Name2-methyl-3-(3-methylbut-2-enyl)pyrrolidine
PubChem CID121451115
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2-methyl-3-(3-methylbut-2-enyl)pyrrolidine
SMILESCC(C)=CCC1CCNC1C
InChIInChI=1S/C10H19N/c1-8(2)4-5-10-6-7-11-9(10)3/h4,9-11H,5-7H2,1-3H3
InChIKeyADOMQRJBGZIZFC-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.34
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 2-methyl-3-(3-methylbut-2-enyl)pyrrolidine?
The IUPAC name of 2-methyl-3-(3-methylbut-2-enyl)pyrrolidine (CID 121451115) is 2-methyl-3-(3-methylbut-2-enyl)pyrrolidine.
What is the SMILES notation for 2-methyl-3-(3-methylbut-2-enyl)pyrrolidine?
The canonical SMILES for 2-methyl-3-(3-methylbut-2-enyl)pyrrolidine is CC(C)=CCC1CCNC1C.
What is the InChIKey of 2-methyl-3-(3-methylbut-2-enyl)pyrrolidine?
The InChIKey is ADOMQRJBGZIZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-8(2)4-5-10-6-7-11-9(10)3/h4,9-11H,5-7H2,1-3H3.
What are the key properties of 2-methyl-3-(3-methylbut-2-enyl)pyrrolidine?
2-methyl-3-(3-methylbut-2-enyl)pyrrolidine has a molecular weight of 153.27 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methylbut-2-enyl)pyrrolidine is sourced from PubChem (CID 121451115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).