(4Z)-4-but-3-en-2-ylidene-N-methylpyridin-3-imine;6,7,9-trimethyl-6H-cyclohepta[b]pyrazine

C22H26N4 — CID 170620030

IUPAC(4Z)-4-but-3-en-2-ylidene-N-methylpyridin-3-imine;6,7,9-trimethyl-6H-cyclohepta[b]pyrazine
SMILESC=C/C(C)=C1/C=CN=C/C1=N\C.CC1=CC(C)=c2nccnc2=CC1C
InChIInChI=1S/C12H14N2.C10H12N2/c1-8-6-10(3)12-11(7-9(8)2)13-4-5-14-12;1-4-8(2)9-5-6-12-7-10(9)11-3/h4-7,9H,1-3H3;4-7H,1H2,2-3H3/b;9-8-,11-10+
InChIKeyPQLXZRZGEWGDRZ-MIXDGUBSSA-N
MW346.48 g/mol
LogP3.18
Rot. Bonds1

About (4Z)-4-but-3-en-2-ylidene-N-methylpyridin-3-imine;6,7,9-trimethyl-6H-cyclohepta[b]pyrazine

(4Z)-4-but-3-en-2-ylidene-N-methylpyridin-3-imine;6,7,9-trimethyl-6H-cyclohepta[b]pyrazine (PubChem CID 170620030) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is (4Z)-4-but-3-en-2-ylidene-N-methylpyridin-3-imine;6,7,9-trimethyl-6H-cyclohepta[b]pyrazine.

Molecular Properties

Compound Name(4Z)-4-but-3-en-2-ylidene-N-methylpyridin-3-imine;6,7,9-trimethyl-6H-cyclohepta[b]pyrazine
PubChem CID170620030
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name(4Z)-4-but-3-en-2-ylidene-N-methylpyridin-3-imine;6,7,9-trimethyl-6H-cyclohepta[b]pyrazine
SMILESC=C/C(C)=C1/C=CN=C/C1=N\C.CC1=CC(C)=c2nccnc2=CC1C
InChIInChI=1S/C12H14N2.C10H12N2/c1-8-6-10(3)12-11(7-9(8)2)13-4-5-14-12;1-4-8(2)9-5-6-12-7-10(9)11-3/h4-7,9H,1-3H3;4-7H,1H2,2-3H3/b;9-8-,11-10+
InChIKeyPQLXZRZGEWGDRZ-MIXDGUBSSA-N
XLogP3.18
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-but-3-en-2-ylidene-N-methylpyridin-3-imine;6,7,9-trimethyl-6H-cyclohepta[b]pyrazine?
The IUPAC name of (4Z)-4-but-3-en-2-ylidene-N-methylpyridin-3-imine;6,7,9-trimethyl-6H-cyclohepta[b]pyrazine (CID 170620030) is (4Z)-4-but-3-en-2-ylidene-N-methylpyridin-3-imine;6,7,9-trimethyl-6H-cyclohepta[b]pyrazine.
What is the SMILES notation for (4Z)-4-but-3-en-2-ylidene-N-methylpyridin-3-imine;6,7,9-trimethyl-6H-cyclohepta[b]pyrazine?
The canonical SMILES for (4Z)-4-but-3-en-2-ylidene-N-methylpyridin-3-imine;6,7,9-trimethyl-6H-cyclohepta[b]pyrazine is C=C/C(C)=C1/C=CN=C/C1=N\C.CC1=CC(C)=c2nccnc2=CC1C.
What is the InChIKey of (4Z)-4-but-3-en-2-ylidene-N-methylpyridin-3-imine;6,7,9-trimethyl-6H-cyclohepta[b]pyrazine?
The InChIKey is PQLXZRZGEWGDRZ-MIXDGUBSSA-N. The full InChI is InChI=1S/C12H14N2.C10H12N2/c1-8-6-10(3)12-11(7-9(8)2)13-4-5-14-12;1-4-8(2)9-5-6-12-7-10(9)11-3/h4-7,9H,1-3H3;4-7H,1H2,2-3H3/b;9-8-,11-10+.
What are the key properties of (4Z)-4-but-3-en-2-ylidene-N-methylpyridin-3-imine;6,7,9-trimethyl-6H-cyclohepta[b]pyrazine?
(4Z)-4-but-3-en-2-ylidene-N-methylpyridin-3-imine;6,7,9-trimethyl-6H-cyclohepta[b]pyrazine has a molecular weight of 346.48 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-but-3-en-2-ylidene-N-methylpyridin-3-imine;6,7,9-trimethyl-6H-cyclohepta[b]pyrazine is sourced from PubChem (CID 170620030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).