1-pent-4-ynylpyrrolidine

C9H15N — CID 82363312

IUPAC1-pent-4-ynylpyrrolidine
SMILESC#CCCCN1CCCC1
InChIInChI=1S/C9H15N/c1-2-3-4-7-10-8-5-6-9-10/h1H,3-9H2
InChIKeySCSMBLBDVCTRLK-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.50
Rot. Bonds3

About 1-pent-4-ynylpyrrolidine

1-pent-4-ynylpyrrolidine (PubChem CID 82363312) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 1-pent-4-ynylpyrrolidine.

Molecular Properties

Compound Name1-pent-4-ynylpyrrolidine
PubChem CID82363312
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name1-pent-4-ynylpyrrolidine
SMILESC#CCCCN1CCCC1
InChIInChI=1S/C9H15N/c1-2-3-4-7-10-8-5-6-9-10/h1H,3-9H2
InChIKeySCSMBLBDVCTRLK-UHFFFAOYSA-N
XLogP1.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-pent-4-ynylpyrrolidine with MolForge

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

Launch Full Analysis

Related Compounds

4-pent-4-ynyl-1,4-oxazepane
CID 115872934
1-methyl-4-pent-4-ynylpiperazine
CID 23446116
1-but-3-ynylazetidine
CID 130164474
1-pent-4-ynyl-4-propan-2-ylpiperazine
CID 90177034
N,N-dimethyl-2-(4-pent-4-ynylpiperazin-1-yl)ethanamine
CID 115872596
1-pent-4-ynyl-4-propan-2-ylpiperidine
CID 103878594
1-(4-pent-4-ynylpiperazin-1-yl)ethanone
CID 115872696
4-methoxy-1-pent-4-ynylpiperidine
CID 115872590
2,2-dimethyl-4-pent-4-ynyl-1,4-oxazepane
CID 130917747
1-hex-5-ynylpiperidin-4-one
CID 106210482
3-methoxy-3-methyl-1-pent-4-ynylpiperidine
CID 107394439
11-pent-4-ynyl-7,11-diazaspiro[5.6]dodecane
CID 106222076

Frequently Asked Questions

What is the IUPAC name of 1-pent-4-ynylpyrrolidine?
The IUPAC name of 1-pent-4-ynylpyrrolidine (CID 82363312) is 1-pent-4-ynylpyrrolidine.
What is the SMILES notation for 1-pent-4-ynylpyrrolidine?
The canonical SMILES for 1-pent-4-ynylpyrrolidine is C#CCCCN1CCCC1.
What is the InChIKey of 1-pent-4-ynylpyrrolidine?
The InChIKey is SCSMBLBDVCTRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-2-3-4-7-10-8-5-6-9-10/h1H,3-9H2.
What are the key properties of 1-pent-4-ynylpyrrolidine?
1-pent-4-ynylpyrrolidine has a molecular weight of 137.23 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-ynylpyrrolidine is sourced from PubChem (CID 82363312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).