1-methyl-N-[(2Z)-penta-2,4-dien-2-yl]pyridin-2-imine

C11H14N2 — CID 145045370

IUPAC1-methyl-N-[(2Z)-penta-2,4-dien-2-yl]pyridin-2-imine
SMILESC=C/C=C(C)\N=c1/ccccn1C
InChIInChI=1S/C11H14N2/c1-4-7-10(2)12-11-8-5-6-9-13(11)3/h4-9H,1H2,2-3H3/b10-7-,12-11+
InChIKeyWXMVQKJPWZBREE-UPXUIUAPSA-N
MW174.25 g/mol
LogP2.02
Rot. Bonds2

About 1-methyl-N-[(2Z)-penta-2,4-dien-2-yl]pyridin-2-imine

1-methyl-N-[(2Z)-penta-2,4-dien-2-yl]pyridin-2-imine (PubChem CID 145045370) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 1-methyl-N-[(2Z)-penta-2,4-dien-2-yl]pyridin-2-imine.

Molecular Properties

Compound Name1-methyl-N-[(2Z)-penta-2,4-dien-2-yl]pyridin-2-imine
PubChem CID145045370
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name1-methyl-N-[(2Z)-penta-2,4-dien-2-yl]pyridin-2-imine
SMILESC=C/C=C(C)\N=c1/ccccn1C
InChIInChI=1S/C11H14N2/c1-4-7-10(2)12-11-8-5-6-9-13(11)3/h4-9H,1H2,2-3H3/b10-7-,12-11+
InChIKeyWXMVQKJPWZBREE-UPXUIUAPSA-N
XLogP2.02
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2Z)-penta-2,4-dien-2-yl]pyridin-2-imine?
The IUPAC name of 1-methyl-N-[(2Z)-penta-2,4-dien-2-yl]pyridin-2-imine (CID 145045370) is 1-methyl-N-[(2Z)-penta-2,4-dien-2-yl]pyridin-2-imine.
What is the SMILES notation for 1-methyl-N-[(2Z)-penta-2,4-dien-2-yl]pyridin-2-imine?
The canonical SMILES for 1-methyl-N-[(2Z)-penta-2,4-dien-2-yl]pyridin-2-imine is C=C/C=C(C)\N=c1/ccccn1C.
What is the InChIKey of 1-methyl-N-[(2Z)-penta-2,4-dien-2-yl]pyridin-2-imine?
The InChIKey is WXMVQKJPWZBREE-UPXUIUAPSA-N. The full InChI is InChI=1S/C11H14N2/c1-4-7-10(2)12-11-8-5-6-9-13(11)3/h4-9H,1H2,2-3H3/b10-7-,12-11+.
What are the key properties of 1-methyl-N-[(2Z)-penta-2,4-dien-2-yl]pyridin-2-imine?
1-methyl-N-[(2Z)-penta-2,4-dien-2-yl]pyridin-2-imine has a molecular weight of 174.25 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2Z)-penta-2,4-dien-2-yl]pyridin-2-imine is sourced from PubChem (CID 145045370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).