N-[(1Z)-1-phenylbuta-1,3-dienyl]methanimine

C11H11N — CID 142314562

IUPACN-[(1Z)-1-phenylbuta-1,3-dienyl]methanimine
SMILESC=C/C=C(\N=C)c1ccccc1
InChIInChI=1S/C11H11N/c1-3-7-11(12-2)10-8-5-4-6-9-10/h3-9H,1-2H2/b11-7-
InChIKeyQLTKACDXTIDHTK-XFFZJAGNSA-N
MW157.22 g/mol
LogP2.91
Rot. Bonds3

About N-[(1Z)-1-phenylbuta-1,3-dienyl]methanimine

N-[(1Z)-1-phenylbuta-1,3-dienyl]methanimine (PubChem CID 142314562) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is N-[(1Z)-1-phenylbuta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z)-1-phenylbuta-1,3-dienyl]methanimine
PubChem CID142314562
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC NameN-[(1Z)-1-phenylbuta-1,3-dienyl]methanimine
SMILESC=C/C=C(\N=C)c1ccccc1
InChIInChI=1S/C11H11N/c1-3-7-11(12-2)10-8-5-4-6-9-10/h3-9H,1-2H2/b11-7-
InChIKeyQLTKACDXTIDHTK-XFFZJAGNSA-N
XLogP2.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-3-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]aniline
CID 143181239
1-phenylbuta-1,3-dienylbenzene;samarium
CID 173396801
N-[(1Z)-1-[3-(1H-pyrazol-5-yl)phenyl]buta-1,3-dienyl]methanimine
CID 123959037
(1Z)-1-phenylbuta-1,3-diene-1-thiol
CID 11193677
(2E,4Z)-4-phenylhepta-2,4,6-trien-3-amine
CID 145315287
1-amino-3-[amino-[[4-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]phenyl]methyl]amino]propan-2-ol
CID 145272181
1-methyl-1-[(1E)-1-phenylbuta-1,3-dienyl]hydrazine
CID 89298001
ethane;[(3E)-hexa-1,3,5-trien-3-yl]benzene;molecular hydrogen
CID 142347036
(2E)-2-methyl-1-phenylpenta-2,4-dien-1-one
CID 134395022
3,6-bis[(1Z)-1-phenylbuta-1,3-dienyl]benzene-1,2-diamine
CID 89196308
buta-1,3-diene;buta-1,3-dien-2-ylbenzene
CID 159301078
2-(dimethylamino)-1-phenylpenta-2,4-dien-1-one
CID 173287666

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-phenylbuta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z)-1-phenylbuta-1,3-dienyl]methanimine (CID 142314562) is N-[(1Z)-1-phenylbuta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z)-1-phenylbuta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z)-1-phenylbuta-1,3-dienyl]methanimine is C=C/C=C(\N=C)c1ccccc1.
What is the InChIKey of N-[(1Z)-1-phenylbuta-1,3-dienyl]methanimine?
The InChIKey is QLTKACDXTIDHTK-XFFZJAGNSA-N. The full InChI is InChI=1S/C11H11N/c1-3-7-11(12-2)10-8-5-4-6-9-10/h3-9H,1-2H2/b11-7-.
What are the key properties of N-[(1Z)-1-phenylbuta-1,3-dienyl]methanimine?
N-[(1Z)-1-phenylbuta-1,3-dienyl]methanimine has a molecular weight of 157.22 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-phenylbuta-1,3-dienyl]methanimine is sourced from PubChem (CID 142314562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).