1-but-3-ynyl-2,2-dimethylpyrrolidine

C10H17N — CID 63657253

IUPAC1-but-3-ynyl-2,2-dimethylpyrrolidine
SMILESC#CCCN1CCCC1(C)C
InChIInChI=1S/C10H17N/c1-4-5-8-11-9-6-7-10(11,2)3/h1H,5-9H2,2-3H3
InChIKeyAHBCPNDIHQKWQO-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.88
Rot. Bonds2

About 1-but-3-ynyl-2,2-dimethylpyrrolidine

1-but-3-ynyl-2,2-dimethylpyrrolidine (PubChem CID 63657253) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-but-3-ynyl-2,2-dimethylpyrrolidine.

Molecular Properties

Compound Name1-but-3-ynyl-2,2-dimethylpyrrolidine
PubChem CID63657253
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-but-3-ynyl-2,2-dimethylpyrrolidine
SMILESC#CCCN1CCCC1(C)C
InChIInChI=1S/C10H17N/c1-4-5-8-11-9-6-7-10(11,2)3/h1H,5-9H2,2-3H3
InChIKeyAHBCPNDIHQKWQO-UHFFFAOYSA-N
XLogP1.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-but-3-ynyl-2,2-dimethylpyrrolidine?
The IUPAC name of 1-but-3-ynyl-2,2-dimethylpyrrolidine (CID 63657253) is 1-but-3-ynyl-2,2-dimethylpyrrolidine.
What is the SMILES notation for 1-but-3-ynyl-2,2-dimethylpyrrolidine?
The canonical SMILES for 1-but-3-ynyl-2,2-dimethylpyrrolidine is C#CCCN1CCCC1(C)C.
What is the InChIKey of 1-but-3-ynyl-2,2-dimethylpyrrolidine?
The InChIKey is AHBCPNDIHQKWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-4-5-8-11-9-6-7-10(11,2)3/h1H,5-9H2,2-3H3.
What are the key properties of 1-but-3-ynyl-2,2-dimethylpyrrolidine?
1-but-3-ynyl-2,2-dimethylpyrrolidine has a molecular weight of 151.25 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-ynyl-2,2-dimethylpyrrolidine is sourced from PubChem (CID 63657253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).