3-ethenyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyridine

C10H13N — CID 67477447

IUPAC3-ethenyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyridine
SMILESC=CC1=C(/C=C\C)C=CNC1
InChIInChI=1S/C10H13N/c1-3-5-10-6-7-11-8-9(10)4-2/h3-7,11H,2,8H2,1H3/b5-3-
InChIKeyVLHREQOZQVVVPR-HYXAFXHYSA-N
MW147.22 g/mol
LogP2.16
Rot. Bonds2

About 3-ethenyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyridine

3-ethenyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyridine (PubChem CID 67477447) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 3-ethenyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyridine.

Molecular Properties

Compound Name3-ethenyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyridine
PubChem CID67477447
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name3-ethenyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyridine
SMILESC=CC1=C(/C=C\C)C=CNC1
InChIInChI=1S/C10H13N/c1-3-5-10-6-7-11-8-9(10)4-2/h3-7,11H,2,8H2,1H3/b5-3-
InChIKeyVLHREQOZQVVVPR-HYXAFXHYSA-N
XLogP2.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyridine?
The IUPAC name of 3-ethenyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyridine (CID 67477447) is 3-ethenyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyridine.
What is the SMILES notation for 3-ethenyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyridine?
The canonical SMILES for 3-ethenyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyridine is C=CC1=C(/C=C\C)C=CNC1.
What is the InChIKey of 3-ethenyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyridine?
The InChIKey is VLHREQOZQVVVPR-HYXAFXHYSA-N. The full InChI is InChI=1S/C10H13N/c1-3-5-10-6-7-11-8-9(10)4-2/h3-7,11H,2,8H2,1H3/b5-3-.
What are the key properties of 3-ethenyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyridine?
3-ethenyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyridine has a molecular weight of 147.22 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyridine is sourced from PubChem (CID 67477447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).