N-[(Z)-(4-ethenyl-1,5-dimethyl-2,3-dihydropyridin-6-ylidene)methyl]methanimine

C11H16N2 — CID 146370264

IUPACN-[(Z)-(4-ethenyl-1,5-dimethyl-2,3-dihydropyridin-6-ylidene)methyl]methanimine
SMILESC=CC1=C(C)/C(=C/N=C)N(C)CC1
InChIInChI=1S/C11H16N2/c1-5-10-6-7-13(4)11(8-12-3)9(10)2/h5,8H,1,3,6-7H2,2,4H3/b11-8-
InChIKeyNBTRRHUCBCZWCY-FLIBITNWSA-N
MW176.26 g/mol
LogP2.37
Rot. Bonds2

About N-[(Z)-(4-ethenyl-1,5-dimethyl-2,3-dihydropyridin-6-ylidene)methyl]methanimine

N-[(Z)-(4-ethenyl-1,5-dimethyl-2,3-dihydropyridin-6-ylidene)methyl]methanimine (PubChem CID 146370264) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-[(Z)-(4-ethenyl-1,5-dimethyl-2,3-dihydropyridin-6-ylidene)methyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-(4-ethenyl-1,5-dimethyl-2,3-dihydropyridin-6-ylidene)methyl]methanimine
PubChem CID146370264
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-[(Z)-(4-ethenyl-1,5-dimethyl-2,3-dihydropyridin-6-ylidene)methyl]methanimine
SMILESC=CC1=C(C)/C(=C/N=C)N(C)CC1
InChIInChI=1S/C11H16N2/c1-5-10-6-7-13(4)11(8-12-3)9(10)2/h5,8H,1,3,6-7H2,2,4H3/b11-8-
InChIKeyNBTRRHUCBCZWCY-FLIBITNWSA-N
XLogP2.37
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-ethenyl-1,5-dimethyl-2,3-dihydropyridin-6-ylidene)methyl]methanimine?
The IUPAC name of N-[(Z)-(4-ethenyl-1,5-dimethyl-2,3-dihydropyridin-6-ylidene)methyl]methanimine (CID 146370264) is N-[(Z)-(4-ethenyl-1,5-dimethyl-2,3-dihydropyridin-6-ylidene)methyl]methanimine.
What is the SMILES notation for N-[(Z)-(4-ethenyl-1,5-dimethyl-2,3-dihydropyridin-6-ylidene)methyl]methanimine?
The canonical SMILES for N-[(Z)-(4-ethenyl-1,5-dimethyl-2,3-dihydropyridin-6-ylidene)methyl]methanimine is C=CC1=C(C)/C(=C/N=C)N(C)CC1.
What is the InChIKey of N-[(Z)-(4-ethenyl-1,5-dimethyl-2,3-dihydropyridin-6-ylidene)methyl]methanimine?
The InChIKey is NBTRRHUCBCZWCY-FLIBITNWSA-N. The full InChI is InChI=1S/C11H16N2/c1-5-10-6-7-13(4)11(8-12-3)9(10)2/h5,8H,1,3,6-7H2,2,4H3/b11-8-.
What are the key properties of N-[(Z)-(4-ethenyl-1,5-dimethyl-2,3-dihydropyridin-6-ylidene)methyl]methanimine?
N-[(Z)-(4-ethenyl-1,5-dimethyl-2,3-dihydropyridin-6-ylidene)methyl]methanimine has a molecular weight of 176.26 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-ethenyl-1,5-dimethyl-2,3-dihydropyridin-6-ylidene)methyl]methanimine is sourced from PubChem (CID 146370264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).