6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyridine

C10H13N — CID 89227123

IUPAC6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyridine
SMILESC=CC1=C(/C=C\C)CCC=N1
InChIInChI=1S/C10H13N/c1-3-6-9-7-5-8-11-10(9)4-2/h3-4,6,8H,2,5,7H2,1H3/b6-3-
InChIKeyZDSHHPJIJVETKF-UTCJRWHESA-N
MW147.22 g/mol
LogP2.87
Rot. Bonds2

About 6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyridine

6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyridine (PubChem CID 89227123) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyridine.

Molecular Properties

Compound Name6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyridine
PubChem CID89227123
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyridine
SMILESC=CC1=C(/C=C\C)CCC=N1
InChIInChI=1S/C10H13N/c1-3-6-9-7-5-8-11-10(9)4-2/h3-4,6,8H,2,5,7H2,1H3/b6-3-
InChIKeyZDSHHPJIJVETKF-UTCJRWHESA-N
XLogP2.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyridine?
The IUPAC name of 6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyridine (CID 89227123) is 6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyridine.
What is the SMILES notation for 6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyridine?
The canonical SMILES for 6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyridine is C=CC1=C(/C=C\C)CCC=N1.
What is the InChIKey of 6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyridine?
The InChIKey is ZDSHHPJIJVETKF-UTCJRWHESA-N. The full InChI is InChI=1S/C10H13N/c1-3-6-9-7-5-8-11-10(9)4-2/h3-4,6,8H,2,5,7H2,1H3/b6-3-.
What are the key properties of 6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyridine?
6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyridine has a molecular weight of 147.22 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyridine is sourced from PubChem (CID 89227123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).