6-ethenyl-2,3-dimethyl-4-methylidene-5-[(Z)-prop-1-enyl]-3-propylpyridine

C16H23N — CID 170029807

IUPAC6-ethenyl-2,3-dimethyl-4-methylidene-5-[(Z)-prop-1-enyl]-3-propylpyridine
SMILESC=CC1=C(/C=C\C)C(=C)C(C)(CCC)C(C)=N1
InChIInChI=1S/C16H23N/c1-7-10-14-12(4)16(6,11-8-2)13(5)17-15(14)9-3/h7,9-10H,3-4,8,11H2,1-2,5-6H3/b10-7-
InChIKeyNJFNQRHAKZBMKK-YFHOEESVSA-N
MW229.37 g/mol
LogP4.84
Rot. Bonds4

About 6-ethenyl-2,3-dimethyl-4-methylidene-5-[(Z)-prop-1-enyl]-3-propylpyridine

6-ethenyl-2,3-dimethyl-4-methylidene-5-[(Z)-prop-1-enyl]-3-propylpyridine (PubChem CID 170029807) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 6-ethenyl-2,3-dimethyl-4-methylidene-5-[(Z)-prop-1-enyl]-3-propylpyridine.

Molecular Properties

Compound Name6-ethenyl-2,3-dimethyl-4-methylidene-5-[(Z)-prop-1-enyl]-3-propylpyridine
PubChem CID170029807
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name6-ethenyl-2,3-dimethyl-4-methylidene-5-[(Z)-prop-1-enyl]-3-propylpyridine
SMILESC=CC1=C(/C=C\C)C(=C)C(C)(CCC)C(C)=N1
InChIInChI=1S/C16H23N/c1-7-10-14-12(4)16(6,11-8-2)13(5)17-15(14)9-3/h7,9-10H,3-4,8,11H2,1-2,5-6H3/b10-7-
InChIKeyNJFNQRHAKZBMKK-YFHOEESVSA-N
XLogP4.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-2,3-dimethyl-4-methylidene-5-[(Z)-prop-1-enyl]-3-propylpyridine?
The IUPAC name of 6-ethenyl-2,3-dimethyl-4-methylidene-5-[(Z)-prop-1-enyl]-3-propylpyridine (CID 170029807) is 6-ethenyl-2,3-dimethyl-4-methylidene-5-[(Z)-prop-1-enyl]-3-propylpyridine.
What is the SMILES notation for 6-ethenyl-2,3-dimethyl-4-methylidene-5-[(Z)-prop-1-enyl]-3-propylpyridine?
The canonical SMILES for 6-ethenyl-2,3-dimethyl-4-methylidene-5-[(Z)-prop-1-enyl]-3-propylpyridine is C=CC1=C(/C=C\C)C(=C)C(C)(CCC)C(C)=N1.
What is the InChIKey of 6-ethenyl-2,3-dimethyl-4-methylidene-5-[(Z)-prop-1-enyl]-3-propylpyridine?
The InChIKey is NJFNQRHAKZBMKK-YFHOEESVSA-N. The full InChI is InChI=1S/C16H23N/c1-7-10-14-12(4)16(6,11-8-2)13(5)17-15(14)9-3/h7,9-10H,3-4,8,11H2,1-2,5-6H3/b10-7-.
What are the key properties of 6-ethenyl-2,3-dimethyl-4-methylidene-5-[(Z)-prop-1-enyl]-3-propylpyridine?
6-ethenyl-2,3-dimethyl-4-methylidene-5-[(Z)-prop-1-enyl]-3-propylpyridine has a molecular weight of 229.37 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-2,3-dimethyl-4-methylidene-5-[(Z)-prop-1-enyl]-3-propylpyridine is sourced from PubChem (CID 170029807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).