methyl 6-but-3-en-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate

C11H17NO2 — CID 101252005

IUPACmethyl 6-but-3-en-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC=CC(C)C1C=CCCN1C(=O)OC
InChIInChI=1S/C11H17NO2/c1-4-9(2)10-7-5-6-8-12(10)11(13)14-3/h4-5,7,9-10H,1,6,8H2,2-3H3
InChIKeyHYWZCHGRWDHQFJ-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.21
Rot. Bonds2

About methyl 6-but-3-en-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate

methyl 6-but-3-en-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 101252005) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is methyl 6-but-3-en-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-but-3-en-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID101252005
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Namemethyl 6-but-3-en-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC=CC(C)C1C=CCCN1C(=O)OC
InChIInChI=1S/C11H17NO2/c1-4-9(2)10-7-5-6-8-12(10)11(13)14-3/h4-5,7,9-10H,1,6,8H2,2-3H3
InChIKeyHYWZCHGRWDHQFJ-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl 6-but-3-en-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate 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 methyl 6-but-3-en-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 6-but-3-en-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate (CID 101252005) is methyl 6-but-3-en-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 6-but-3-en-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 6-but-3-en-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate is C=CC(C)C1C=CCCN1C(=O)OC.
What is the InChIKey of methyl 6-but-3-en-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is HYWZCHGRWDHQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-9(2)10-7-5-6-8-12(10)11(13)14-3/h4-5,7,9-10H,1,6,8H2,2-3H3.
What are the key properties of methyl 6-but-3-en-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate?
methyl 6-but-3-en-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 195.26 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-but-3-en-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 101252005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).