(Z)-N-(3,4-dihydropyridin-6-yl)but-3-en-2-imine

C9H12N2 — CID 143838539

IUPAC(Z)-N-(3,4-dihydropyridin-6-yl)but-3-en-2-imine
SMILESC=C/C(C)=N\C1=CCCC=N1
InChIInChI=1S/C9H12N2/c1-3-8(2)11-9-6-4-5-7-10-9/h3,6-7H,1,4-5H2,2H3/b11-8-
InChIKeyPZFBAIGGNGNVBJ-FLIBITNWSA-N
MW148.21 g/mol
LogP2.34
Rot. Bonds2

About (Z)-N-(3,4-dihydropyridin-6-yl)but-3-en-2-imine

(Z)-N-(3,4-dihydropyridin-6-yl)but-3-en-2-imine (PubChem CID 143838539) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (Z)-N-(3,4-dihydropyridin-6-yl)but-3-en-2-imine.

Molecular Properties

Compound Name(Z)-N-(3,4-dihydropyridin-6-yl)but-3-en-2-imine
PubChem CID143838539
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(Z)-N-(3,4-dihydropyridin-6-yl)but-3-en-2-imine
SMILESC=C/C(C)=N\C1=CCCC=N1
InChIInChI=1S/C9H12N2/c1-3-8(2)11-9-6-4-5-7-10-9/h3,6-7H,1,4-5H2,2H3/b11-8-
InChIKeyPZFBAIGGNGNVBJ-FLIBITNWSA-N
XLogP2.34
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.34
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-propan-2-yl-4H-pyridin-3-imine
CID 19384805
2H-Imidazo[4,5-C]pyridine
CID 20072783
N-methyl-3H-pyridin-4-imine
CID 20520378
N-propyl-3H-pyridin-4-imine
CID 20520388
2-butyl-2H-imidazo[4,5-c]pyridine
CID 57234190
N-methyl-4H-pyridin-3-imine
CID 67496115
N-butyl-4H-pyridin-3-imine
CID 67808449
(Z)-3-N-methyl-1-N-methylidenepent-1-ene-1,3-diimine
CID 88570472
4-ethyl-1,2-dimethyl-2H-pyrimidine
CID 91589403
5-N-prop-2-enylidenepent-4-ene-2,5-diimine
CID 123205122
3-N-methyl-1-N-methylidenepent-1-ene-1,3-diimine
CID 123361832
2-N-methyl-1-N-propylbut-3-ene-1,2-diimine
CID 123553502

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(3,4-dihydropyridin-6-yl)but-3-en-2-imine?
The IUPAC name of (Z)-N-(3,4-dihydropyridin-6-yl)but-3-en-2-imine (CID 143838539) is (Z)-N-(3,4-dihydropyridin-6-yl)but-3-en-2-imine.
What is the SMILES notation for (Z)-N-(3,4-dihydropyridin-6-yl)but-3-en-2-imine?
The canonical SMILES for (Z)-N-(3,4-dihydropyridin-6-yl)but-3-en-2-imine is C=C/C(C)=N\C1=CCCC=N1.
What is the InChIKey of (Z)-N-(3,4-dihydropyridin-6-yl)but-3-en-2-imine?
The InChIKey is PZFBAIGGNGNVBJ-FLIBITNWSA-N. The full InChI is InChI=1S/C9H12N2/c1-3-8(2)11-9-6-4-5-7-10-9/h3,6-7H,1,4-5H2,2H3/b11-8-.
What are the key properties of (Z)-N-(3,4-dihydropyridin-6-yl)but-3-en-2-imine?
(Z)-N-(3,4-dihydropyridin-6-yl)but-3-en-2-imine has a molecular weight of 148.21 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3,4-dihydropyridin-6-yl)but-3-en-2-imine is sourced from PubChem (CID 143838539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).