N-[(Z)-3-methylbut-1-enyl]-2-methylidenepyridin-3-imine

C11H14N2 — CID 142875306

IUPACN-[(Z)-3-methylbut-1-enyl]-2-methylidenepyridin-3-imine
SMILESC=C1N=CC=C/C1=N\C=C/C(C)C
InChIInChI=1S/C11H14N2/c1-9(2)6-8-13-11-5-4-7-12-10(11)3/h4-9H,3H2,1-2H3/b8-6-,13-11+
InChIKeyCRVQRDGUACEXAG-OWEOKAMTSA-N
MW174.25 g/mol
LogP2.75
Rot. Bonds2

About N-[(Z)-3-methylbut-1-enyl]-2-methylidenepyridin-3-imine

N-[(Z)-3-methylbut-1-enyl]-2-methylidenepyridin-3-imine (PubChem CID 142875306) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is N-[(Z)-3-methylbut-1-enyl]-2-methylidenepyridin-3-imine.

Molecular Properties

Compound NameN-[(Z)-3-methylbut-1-enyl]-2-methylidenepyridin-3-imine
PubChem CID142875306
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC NameN-[(Z)-3-methylbut-1-enyl]-2-methylidenepyridin-3-imine
SMILESC=C1N=CC=C/C1=N\C=C/C(C)C
InChIInChI=1S/C11H14N2/c1-9(2)6-8-13-11-5-4-7-12-10(11)3/h4-9H,3H2,1-2H3/b8-6-,13-11+
InChIKeyCRVQRDGUACEXAG-OWEOKAMTSA-N
XLogP2.75
TPSA24.72 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 ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-4-methyl-3-(prop-2-enylideneamino)pent-2-en-2-yl]ethanimidoyl fluoride
CID 166765756
2-propan-2-yl-3H-pyridin-3-ide;yttrium
CID 58365235
(2Z,6Z)-2,3-di(propan-2-yl)-1,5-diazocine
CID 58763006
(2E)-2-ethylidene-N-methylpyridin-3-imine
CID 68010674
(3Z)-3-ethylidene-N-methylpyridin-4-imine
CID 68179744
(4Z)-4-ethylidene-N-methylpyridin-3-imine
CID 68179746
2,3-Dihydro-1,5-naphthyridine
CID 68214849
3-Ethenyl-6-ethyl-3,4-dihydropyridine
CID 68343847
2-Methyl-4a,8a-dihydro-1,8-naphthyridine
CID 70335790
(E)-N-[(Z)-1-(4-methyl-2,3-dihydropyridin-6-yl)prop-1-enyl]but-2-en-1-imine
CID 71158073
2-ethylidene-N-methylpyridin-3-imine
CID 77385875
(2E)-N-methyl-2-(3-methylidene-2-pyridinylidene)ethanimine
CID 88271063

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-methylbut-1-enyl]-2-methylidenepyridin-3-imine?
The IUPAC name of N-[(Z)-3-methylbut-1-enyl]-2-methylidenepyridin-3-imine (CID 142875306) is N-[(Z)-3-methylbut-1-enyl]-2-methylidenepyridin-3-imine.
What is the SMILES notation for N-[(Z)-3-methylbut-1-enyl]-2-methylidenepyridin-3-imine?
The canonical SMILES for N-[(Z)-3-methylbut-1-enyl]-2-methylidenepyridin-3-imine is C=C1N=CC=C/C1=N\C=C/C(C)C.
What is the InChIKey of N-[(Z)-3-methylbut-1-enyl]-2-methylidenepyridin-3-imine?
The InChIKey is CRVQRDGUACEXAG-OWEOKAMTSA-N. The full InChI is InChI=1S/C11H14N2/c1-9(2)6-8-13-11-5-4-7-12-10(11)3/h4-9H,3H2,1-2H3/b8-6-,13-11+.
What are the key properties of N-[(Z)-3-methylbut-1-enyl]-2-methylidenepyridin-3-imine?
N-[(Z)-3-methylbut-1-enyl]-2-methylidenepyridin-3-imine has a molecular weight of 174.25 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-methylbut-1-enyl]-2-methylidenepyridin-3-imine is sourced from PubChem (CID 142875306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).