[2-[(Z)-but-1-enyl]phenyl]methanimine

C11H13N — CID 130239187

IUPAC[2-[(Z)-but-1-enyl]phenyl]methanimine
SMILES[H]/N=C/c1ccccc1/C=C\CC
InChIInChI=1S/C11H13N/c1-2-3-6-10-7-4-5-8-11(10)9-12/h3-9,12H,2H2,1H3/b6-3-,12-9+
InChIKeyJQKGRDBSFWRDMJ-GPIRXWPPSA-N
MW159.23 g/mol
LogP3.11
Rot. Bonds3

About [2-[(Z)-but-1-enyl]phenyl]methanimine

[2-[(Z)-but-1-enyl]phenyl]methanimine (PubChem CID 130239187) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is [2-[(Z)-but-1-enyl]phenyl]methanimine.

Molecular Properties

Compound Name[2-[(Z)-but-1-enyl]phenyl]methanimine
PubChem CID130239187
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name[2-[(Z)-but-1-enyl]phenyl]methanimine
SMILES[H]/N=C/c1ccccc1/C=C\CC
InChIInChI=1S/C11H13N/c1-2-3-6-10-7-4-5-8-11(10)9-12/h3-9,12H,2H2,1H3/b6-3-,12-9+
InChIKeyJQKGRDBSFWRDMJ-GPIRXWPPSA-N
XLogP3.11
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(but-1-enyl)benzene
CID 140975855
(2-ethylphenyl)methanimine
CID 58827978
(2-butylphenyl)methanimine
CID 143221510
[3-[(Z)-but-1-enyl]-1-benzothiophen-2-yl]methanimine
CID 138722950
(2-iodophenyl)methanimine
CID 91565501
2-but-1-enylbenzoic acid
CID 66860810
(2-methylsulfanylphenyl)methanimine
CID 88561931
1-[(E)-but-1-enyl]-2-propoxybenzene;methane
CID 159219180
1-[(E)-but-1-enyl]-2-nitrobenzene
CID 15667952
benzene;but-1-enylbenzene
CID 157481332
3-[(E)-but-1-enyl]-2-methylphenol
CID 173140204
[5-[(Z)-but-1-enyl]-2H-triazol-4-yl]methanimine;ethane
CID 143900476

Frequently Asked Questions

What is the IUPAC name of [2-[(Z)-but-1-enyl]phenyl]methanimine?
The IUPAC name of [2-[(Z)-but-1-enyl]phenyl]methanimine (CID 130239187) is [2-[(Z)-but-1-enyl]phenyl]methanimine.
What is the SMILES notation for [2-[(Z)-but-1-enyl]phenyl]methanimine?
The canonical SMILES for [2-[(Z)-but-1-enyl]phenyl]methanimine is [H]/N=C/c1ccccc1/C=C\CC.
What is the InChIKey of [2-[(Z)-but-1-enyl]phenyl]methanimine?
The InChIKey is JQKGRDBSFWRDMJ-GPIRXWPPSA-N. The full InChI is InChI=1S/C11H13N/c1-2-3-6-10-7-4-5-8-11(10)9-12/h3-9,12H,2H2,1H3/b6-3-,12-9+.
What are the key properties of [2-[(Z)-but-1-enyl]phenyl]methanimine?
[2-[(Z)-but-1-enyl]phenyl]methanimine has a molecular weight of 159.23 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(Z)-but-1-enyl]phenyl]methanimine is sourced from PubChem (CID 130239187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).