1-ethynyl-4-methyl-2-propan-2-ylpyrrolidine

C10H17N — CID 167643568

IUPAC1-ethynyl-4-methyl-2-propan-2-ylpyrrolidine
SMILESC#CN1CC(C)CC1C(C)C
InChIInChI=1S/C10H17N/c1-5-11-7-9(4)6-10(11)8(2)3/h1,8-10H,6-7H2,2-4H3
InChIKeyJVXRYSLVZKVMFN-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.94
Rot. Bonds1

About 1-ethynyl-4-methyl-2-propan-2-ylpyrrolidine

1-ethynyl-4-methyl-2-propan-2-ylpyrrolidine (PubChem CID 167643568) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-ethynyl-4-methyl-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-ethynyl-4-methyl-2-propan-2-ylpyrrolidine
PubChem CID167643568
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-ethynyl-4-methyl-2-propan-2-ylpyrrolidine
SMILESC#CN1CC(C)CC1C(C)C
InChIInChI=1S/C10H17N/c1-5-11-7-9(4)6-10(11)8(2)3/h1,8-10H,6-7H2,2-4H3
InChIKeyJVXRYSLVZKVMFN-UHFFFAOYSA-N
XLogP1.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-ethynyl-4-methyl-2-propan-2-ylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethynyl-4-methyl-2-propan-2-ylpyrrolidine?
The IUPAC name of 1-ethynyl-4-methyl-2-propan-2-ylpyrrolidine (CID 167643568) is 1-ethynyl-4-methyl-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-ethynyl-4-methyl-2-propan-2-ylpyrrolidine?
The canonical SMILES for 1-ethynyl-4-methyl-2-propan-2-ylpyrrolidine is C#CN1CC(C)CC1C(C)C.
What is the InChIKey of 1-ethynyl-4-methyl-2-propan-2-ylpyrrolidine?
The InChIKey is JVXRYSLVZKVMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-5-11-7-9(4)6-10(11)8(2)3/h1,8-10H,6-7H2,2-4H3.
What are the key properties of 1-ethynyl-4-methyl-2-propan-2-ylpyrrolidine?
1-ethynyl-4-methyl-2-propan-2-ylpyrrolidine has a molecular weight of 151.25 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-4-methyl-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 167643568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).