5-methyl-4-[(Z)-(2-methylcyclobutylidene)methyl]-1,2-dihydropyridine

C12H17N — CID 155197900

IUPAC5-methyl-4-[(Z)-(2-methylcyclobutylidene)methyl]-1,2-dihydropyridine
SMILESCC1=CNCC=C1/C=C1/CCC1C
InChIInChI=1S/C12H17N/c1-9-3-4-11(9)7-12-5-6-13-8-10(12)2/h5,7-9,13H,3-4,6H2,1-2H3/b11-7-
InChIKeyOXVGAJZJYNHSOB-XFFZJAGNSA-N
MW175.27 g/mol
LogP2.78
Rot. Bonds1

About 5-methyl-4-[(Z)-(2-methylcyclobutylidene)methyl]-1,2-dihydropyridine

5-methyl-4-[(Z)-(2-methylcyclobutylidene)methyl]-1,2-dihydropyridine (PubChem CID 155197900) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 5-methyl-4-[(Z)-(2-methylcyclobutylidene)methyl]-1,2-dihydropyridine.

Molecular Properties

Compound Name5-methyl-4-[(Z)-(2-methylcyclobutylidene)methyl]-1,2-dihydropyridine
PubChem CID155197900
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name5-methyl-4-[(Z)-(2-methylcyclobutylidene)methyl]-1,2-dihydropyridine
SMILESCC1=CNCC=C1/C=C1/CCC1C
InChIInChI=1S/C12H17N/c1-9-3-4-11(9)7-12-5-6-13-8-10(12)2/h5,7-9,13H,3-4,6H2,1-2H3/b11-7-
InChIKeyOXVGAJZJYNHSOB-XFFZJAGNSA-N
XLogP2.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(Z)-(2-methylcyclobutylidene)methyl]-1,2-dihydropyridine?
The IUPAC name of 5-methyl-4-[(Z)-(2-methylcyclobutylidene)methyl]-1,2-dihydropyridine (CID 155197900) is 5-methyl-4-[(Z)-(2-methylcyclobutylidene)methyl]-1,2-dihydropyridine.
What is the SMILES notation for 5-methyl-4-[(Z)-(2-methylcyclobutylidene)methyl]-1,2-dihydropyridine?
The canonical SMILES for 5-methyl-4-[(Z)-(2-methylcyclobutylidene)methyl]-1,2-dihydropyridine is CC1=CNCC=C1/C=C1/CCC1C.
What is the InChIKey of 5-methyl-4-[(Z)-(2-methylcyclobutylidene)methyl]-1,2-dihydropyridine?
The InChIKey is OXVGAJZJYNHSOB-XFFZJAGNSA-N. The full InChI is InChI=1S/C12H17N/c1-9-3-4-11(9)7-12-5-6-13-8-10(12)2/h5,7-9,13H,3-4,6H2,1-2H3/b11-7-.
What are the key properties of 5-methyl-4-[(Z)-(2-methylcyclobutylidene)methyl]-1,2-dihydropyridine?
5-methyl-4-[(Z)-(2-methylcyclobutylidene)methyl]-1,2-dihydropyridine has a molecular weight of 175.27 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(Z)-(2-methylcyclobutylidene)methyl]-1,2-dihydropyridine is sourced from PubChem (CID 155197900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).