(Z)-N-benzylbut-2-en-1-imine

C11H13N — CID 141334721

IUPAC(Z)-N-benzylbut-2-en-1-imine
SMILESC/C=C\C=N\Cc1ccccc1
InChIInChI=1S/C11H13N/c1-2-3-9-12-10-11-7-5-4-6-8-11/h2-9H,10H2,1H3/b3-2-,12-9+
InChIKeyWKKLWSDBTLROPG-OXBVQVJRSA-N
MW159.23 g/mol
LogP2.83
Rot. Bonds3

About (Z)-N-benzylbut-2-en-1-imine

(Z)-N-benzylbut-2-en-1-imine (PubChem CID 141334721) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is (Z)-N-benzylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-benzylbut-2-en-1-imine
PubChem CID141334721
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name(Z)-N-benzylbut-2-en-1-imine
SMILESC/C=C\C=N\Cc1ccccc1
InChIInChI=1S/C11H13N/c1-2-3-9-12-10-11-7-5-4-6-8-11/h2-9H,10H2,1H3/b3-2-,12-9+
InChIKeyWKKLWSDBTLROPG-OXBVQVJRSA-N
XLogP2.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzylpent-2-en-1-imine
CID 71349655
N-benzyldecan-1-imine
CID 11276634
(E)-3-phenyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-imine
CID 10661739
(2S)-N-benzyl-2-chloropropan-1-imine
CID 131243971
N'-benzyl-N,N-dimethylmethanimidamide
CID 523875
[(3E,5Z)-hepta-3,5-dienyl]benzene
CID 12021636
hepta-3,5-dienylbenzene
CID 54230830
N-benzyl-3-methylsulfanyl-3-phenylprop-2-en-1-imine
CID 71409068
N'-(benzyliminomethyl)benzenecarboximidamide
CID 118508894
N-benzyl-3-methylbutan-1-imine
CID 11457986
benzyliminotungsten
CID 21354480
2-benzyliminoacetonitrile
CID 10975606

Frequently Asked Questions

What is the IUPAC name of (Z)-N-benzylbut-2-en-1-imine?
The IUPAC name of (Z)-N-benzylbut-2-en-1-imine (CID 141334721) is (Z)-N-benzylbut-2-en-1-imine.
What is the SMILES notation for (Z)-N-benzylbut-2-en-1-imine?
The canonical SMILES for (Z)-N-benzylbut-2-en-1-imine is C/C=C\C=N\Cc1ccccc1.
What is the InChIKey of (Z)-N-benzylbut-2-en-1-imine?
The InChIKey is WKKLWSDBTLROPG-OXBVQVJRSA-N. The full InChI is InChI=1S/C11H13N/c1-2-3-9-12-10-11-7-5-4-6-8-11/h2-9H,10H2,1H3/b3-2-,12-9+.
What are the key properties of (Z)-N-benzylbut-2-en-1-imine?
(Z)-N-benzylbut-2-en-1-imine has a molecular weight of 159.23 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-benzylbut-2-en-1-imine is sourced from PubChem (CID 141334721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).