1-pent-4-ynyl-3,6-dihydro-2H-pyridine

C10H15N — CID 130622051

IUPAC1-pent-4-ynyl-3,6-dihydro-2H-pyridine
SMILESC#CCCCN1CC=CCC1
InChIInChI=1S/C10H15N/c1-2-3-5-8-11-9-6-4-7-10-11/h1,4,6H,3,5,7-10H2
InChIKeyLWZGQWYZGGHMEP-UHFFFAOYSA-N
MW149.24 g/mol
LogP1.66
Rot. Bonds3

About 1-pent-4-ynyl-3,6-dihydro-2H-pyridine

1-pent-4-ynyl-3,6-dihydro-2H-pyridine (PubChem CID 130622051) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 1-pent-4-ynyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-pent-4-ynyl-3,6-dihydro-2H-pyridine
PubChem CID130622051
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name1-pent-4-ynyl-3,6-dihydro-2H-pyridine
SMILESC#CCCCN1CC=CCC1
InChIInChI=1S/C10H15N/c1-2-3-5-8-11-9-6-4-7-10-11/h1,4,6H,3,5,7-10H2
InChIKeyLWZGQWYZGGHMEP-UHFFFAOYSA-N
XLogP1.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pent-4-ynyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-pent-4-ynyl-3,6-dihydro-2H-pyridine (CID 130622051) is 1-pent-4-ynyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-pent-4-ynyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-pent-4-ynyl-3,6-dihydro-2H-pyridine is C#CCCCN1CC=CCC1.
What is the InChIKey of 1-pent-4-ynyl-3,6-dihydro-2H-pyridine?
The InChIKey is LWZGQWYZGGHMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-2-3-5-8-11-9-6-4-7-10-11/h1,4,6H,3,5,7-10H2.
What are the key properties of 1-pent-4-ynyl-3,6-dihydro-2H-pyridine?
1-pent-4-ynyl-3,6-dihydro-2H-pyridine has a molecular weight of 149.24 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-ynyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 130622051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).