N-(3-methylbut-2-en-2-yl)-4-methylidenepyridin-3-imine

C11H14N2 — CID 146535523

IUPACN-(3-methylbut-2-en-2-yl)-4-methylidenepyridin-3-imine
SMILESC=C1C=CN=C/C1=N\C(C)=C(C)C
InChIInChI=1S/C11H14N2/c1-8(2)10(4)13-11-7-12-6-5-9(11)3/h5-7H,3H2,1-2,4H3/b13-11+
InChIKeyQGMQWVAINLVRKP-ACCUITESSA-N
MW174.25 g/mol
LogP2.90
Rot. Bonds1

About N-(3-methylbut-2-en-2-yl)-4-methylidenepyridin-3-imine

N-(3-methylbut-2-en-2-yl)-4-methylidenepyridin-3-imine (PubChem CID 146535523) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is N-(3-methylbut-2-en-2-yl)-4-methylidenepyridin-3-imine.

Molecular Properties

Compound NameN-(3-methylbut-2-en-2-yl)-4-methylidenepyridin-3-imine
PubChem CID146535523
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC NameN-(3-methylbut-2-en-2-yl)-4-methylidenepyridin-3-imine
SMILESC=C1C=CN=C/C1=N\C(C)=C(C)C
InChIInChI=1S/C11H14N2/c1-8(2)10(4)13-11-7-12-6-5-9(11)3/h5-7H,3H2,1-2,4H3/b13-11+
InChIKeyQGMQWVAINLVRKP-ACCUITESSA-N
XLogP2.90
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.90
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-(3-methylbut-2-en-2-yl)-4-methylidenepyridin-3-imine?
The IUPAC name of N-(3-methylbut-2-en-2-yl)-4-methylidenepyridin-3-imine (CID 146535523) is N-(3-methylbut-2-en-2-yl)-4-methylidenepyridin-3-imine.
What is the SMILES notation for N-(3-methylbut-2-en-2-yl)-4-methylidenepyridin-3-imine?
The canonical SMILES for N-(3-methylbut-2-en-2-yl)-4-methylidenepyridin-3-imine is C=C1C=CN=C/C1=N\C(C)=C(C)C.
What is the InChIKey of N-(3-methylbut-2-en-2-yl)-4-methylidenepyridin-3-imine?
The InChIKey is QGMQWVAINLVRKP-ACCUITESSA-N. The full InChI is InChI=1S/C11H14N2/c1-8(2)10(4)13-11-7-12-6-5-9(11)3/h5-7H,3H2,1-2,4H3/b13-11+.
What are the key properties of N-(3-methylbut-2-en-2-yl)-4-methylidenepyridin-3-imine?
N-(3-methylbut-2-en-2-yl)-4-methylidenepyridin-3-imine has a molecular weight of 174.25 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-en-2-yl)-4-methylidenepyridin-3-imine is sourced from PubChem (CID 146535523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).