(Z)-4-(2,6-dimethyl-1,2-dihydropyridin-4-yl)-3-methylbut-3-en-2-ol

C12H19NO — CID 118396522

IUPAC(Z)-4-(2,6-dimethyl-1,2-dihydropyridin-4-yl)-3-methylbut-3-en-2-ol
SMILESCC1=CC(/C=C(/C)C(C)O)=CC(C)N1
InChIInChI=1S/C12H19NO/c1-8(11(4)14)5-12-6-9(2)13-10(3)7-12/h5-7,9,11,13-14H,1-4H3/b8-5-
InChIKeyWRWQAHGYSVSVBV-YVMONPNESA-N
MW193.29 g/mol
LogP2.14
Rot. Bonds2

About (Z)-4-(2,6-dimethyl-1,2-dihydropyridin-4-yl)-3-methylbut-3-en-2-ol

(Z)-4-(2,6-dimethyl-1,2-dihydropyridin-4-yl)-3-methylbut-3-en-2-ol (PubChem CID 118396522) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (Z)-4-(2,6-dimethyl-1,2-dihydropyridin-4-yl)-3-methylbut-3-en-2-ol.

Molecular Properties

Compound Name(Z)-4-(2,6-dimethyl-1,2-dihydropyridin-4-yl)-3-methylbut-3-en-2-ol
PubChem CID118396522
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(Z)-4-(2,6-dimethyl-1,2-dihydropyridin-4-yl)-3-methylbut-3-en-2-ol
SMILESCC1=CC(/C=C(/C)C(C)O)=CC(C)N1
InChIInChI=1S/C12H19NO/c1-8(11(4)14)5-12-6-9(2)13-10(3)7-12/h5-7,9,11,13-14H,1-4H3/b8-5-
InChIKeyWRWQAHGYSVSVBV-YVMONPNESA-N
XLogP2.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2,6-dimethyl-1,2-dihydropyridin-4-yl)-3-methylbut-3-en-2-ol?
The IUPAC name of (Z)-4-(2,6-dimethyl-1,2-dihydropyridin-4-yl)-3-methylbut-3-en-2-ol (CID 118396522) is (Z)-4-(2,6-dimethyl-1,2-dihydropyridin-4-yl)-3-methylbut-3-en-2-ol.
What is the SMILES notation for (Z)-4-(2,6-dimethyl-1,2-dihydropyridin-4-yl)-3-methylbut-3-en-2-ol?
The canonical SMILES for (Z)-4-(2,6-dimethyl-1,2-dihydropyridin-4-yl)-3-methylbut-3-en-2-ol is CC1=CC(/C=C(/C)C(C)O)=CC(C)N1.
What is the InChIKey of (Z)-4-(2,6-dimethyl-1,2-dihydropyridin-4-yl)-3-methylbut-3-en-2-ol?
The InChIKey is WRWQAHGYSVSVBV-YVMONPNESA-N. The full InChI is InChI=1S/C12H19NO/c1-8(11(4)14)5-12-6-9(2)13-10(3)7-12/h5-7,9,11,13-14H,1-4H3/b8-5-.
What are the key properties of (Z)-4-(2,6-dimethyl-1,2-dihydropyridin-4-yl)-3-methylbut-3-en-2-ol?
(Z)-4-(2,6-dimethyl-1,2-dihydropyridin-4-yl)-3-methylbut-3-en-2-ol has a molecular weight of 193.29 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2,6-dimethyl-1,2-dihydropyridin-4-yl)-3-methylbut-3-en-2-ol is sourced from PubChem (CID 118396522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).