5-but-1-en-2-yl-2-methylidene-1-[(Z)-prop-1-enyl]pyridine

C13H17N — CID 138532988

IUPAC5-but-1-en-2-yl-2-methylidene-1-[(Z)-prop-1-enyl]pyridine
SMILESC=C(CC)C1=CN(/C=C\C)C(=C)C=C1
InChIInChI=1S/C13H17N/c1-5-9-14-10-13(11(3)6-2)8-7-12(14)4/h5,7-10H,3-4,6H2,1-2H3/b9-5-
InChIKeyDRBOLOWSPAAXPT-UITAMQMPSA-N
MW187.29 g/mol
LogP3.76
Rot. Bonds3

About 5-but-1-en-2-yl-2-methylidene-1-[(Z)-prop-1-enyl]pyridine

5-but-1-en-2-yl-2-methylidene-1-[(Z)-prop-1-enyl]pyridine (PubChem CID 138532988) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 5-but-1-en-2-yl-2-methylidene-1-[(Z)-prop-1-enyl]pyridine.

Molecular Properties

Compound Name5-but-1-en-2-yl-2-methylidene-1-[(Z)-prop-1-enyl]pyridine
PubChem CID138532988
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name5-but-1-en-2-yl-2-methylidene-1-[(Z)-prop-1-enyl]pyridine
SMILESC=C(CC)C1=CN(/C=C\C)C(=C)C=C1
InChIInChI=1S/C13H17N/c1-5-9-14-10-13(11(3)6-2)8-7-12(14)4/h5,7-10H,3-4,6H2,1-2H3/b9-5-
InChIKeyDRBOLOWSPAAXPT-UITAMQMPSA-N
XLogP3.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-but-1-en-2-yl-2-methylidene-1-[(Z)-prop-1-enyl]pyridine 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 5-but-1-en-2-yl-2-methylidene-1-[(Z)-prop-1-enyl]pyridine?
The IUPAC name of 5-but-1-en-2-yl-2-methylidene-1-[(Z)-prop-1-enyl]pyridine (CID 138532988) is 5-but-1-en-2-yl-2-methylidene-1-[(Z)-prop-1-enyl]pyridine.
What is the SMILES notation for 5-but-1-en-2-yl-2-methylidene-1-[(Z)-prop-1-enyl]pyridine?
The canonical SMILES for 5-but-1-en-2-yl-2-methylidene-1-[(Z)-prop-1-enyl]pyridine is C=C(CC)C1=CN(/C=C\C)C(=C)C=C1.
What is the InChIKey of 5-but-1-en-2-yl-2-methylidene-1-[(Z)-prop-1-enyl]pyridine?
The InChIKey is DRBOLOWSPAAXPT-UITAMQMPSA-N. The full InChI is InChI=1S/C13H17N/c1-5-9-14-10-13(11(3)6-2)8-7-12(14)4/h5,7-10H,3-4,6H2,1-2H3/b9-5-.
What are the key properties of 5-but-1-en-2-yl-2-methylidene-1-[(Z)-prop-1-enyl]pyridine?
5-but-1-en-2-yl-2-methylidene-1-[(Z)-prop-1-enyl]pyridine has a molecular weight of 187.29 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-1-en-2-yl-2-methylidene-1-[(Z)-prop-1-enyl]pyridine is sourced from PubChem (CID 138532988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).