1-but-3-ynyl-4-methyl-3,6-dihydro-2H-pyridine

C10H15N — CID 130649609

IUPAC1-but-3-ynyl-4-methyl-3,6-dihydro-2H-pyridine
SMILESC#CCCN1CC=C(C)CC1
InChIInChI=1S/C10H15N/c1-3-4-7-11-8-5-10(2)6-9-11/h1,5H,4,6-9H2,2H3
InChIKeySTZGRQRXCITHJB-UHFFFAOYSA-N
MW149.24 g/mol
LogP1.66
Rot. Bonds2

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

1-but-3-ynyl-4-methyl-3,6-dihydro-2H-pyridine (PubChem CID 130649609) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 1-but-3-ynyl-4-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-but-3-ynyl-4-methyl-3,6-dihydro-2H-pyridine
PubChem CID130649609
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name1-but-3-ynyl-4-methyl-3,6-dihydro-2H-pyridine
SMILESC#CCCN1CC=C(C)CC1
InChIInChI=1S/C10H15N/c1-3-4-7-11-8-5-10(2)6-9-11/h1,5H,4,6-9H2,2H3
InChIKeySTZGRQRXCITHJB-UHFFFAOYSA-N
XLogP1.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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': '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-but-3-ynyl-4-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-but-3-ynyl-4-methyl-3,6-dihydro-2H-pyridine (CID 130649609) is 1-but-3-ynyl-4-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-but-3-ynyl-4-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-but-3-ynyl-4-methyl-3,6-dihydro-2H-pyridine is C#CCCN1CC=C(C)CC1.
What is the InChIKey of 1-but-3-ynyl-4-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is STZGRQRXCITHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-3-4-7-11-8-5-10(2)6-9-11/h1,5H,4,6-9H2,2H3.
What are the key properties of 1-but-3-ynyl-4-methyl-3,6-dihydro-2H-pyridine?
1-but-3-ynyl-4-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 149.24 g/mol, XLogP of 1.66, 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-4-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 130649609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).