N-methyl-4-phenylbut-3-en-2-imine

C11H13N — CID 15325561

IUPACN-methyl-4-phenylbut-3-en-2-imine
SMILESC/N=C(\C)C=Cc1ccccc1
InChIInChI=1S/C11H13N/c1-10(12-2)8-9-11-6-4-3-5-7-11/h3-9H,1-2H3/b9-8?,12-10+
InChIKeyLTNHAAXPZPYYRP-HYSGBWKPSA-N
MW159.23 g/mol
LogP2.79
Rot. Bonds2

About N-methyl-4-phenylbut-3-en-2-imine

N-methyl-4-phenylbut-3-en-2-imine (PubChem CID 15325561) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is N-methyl-4-phenylbut-3-en-2-imine.

Molecular Properties

Compound NameN-methyl-4-phenylbut-3-en-2-imine
PubChem CID15325561
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC NameN-methyl-4-phenylbut-3-en-2-imine
SMILESC/N=C(\C)C=Cc1ccccc1
InChIInChI=1S/C11H13N/c1-10(12-2)8-9-11-6-4-3-5-7-11/h3-9H,1-2H3/b9-8?,12-10+
InChIKeyLTNHAAXPZPYYRP-HYSGBWKPSA-N
XLogP2.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.79
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

(E)-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazine
CID 92531836
(NE)-N-(4-phenylbut-3-en-2-ylidene)hydroxylamine
CID 6738838
(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazine
CID 92531835
(E)-N,4-diphenylbut-3-en-2-imine
CID 5382915
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]aniline
CID 6256661
acetic acid;stilbene
CID 172803728
N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 724511
methyl N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]carbamate
CID 7072066
methane;N-methyl-1,3-diphenylprop-2-en-1-imine
CID 159060936
1,3-bis[(E)-4-phenylbut-3-en-2-ylideneamino]thiourea
CID 5466074
carbon monoxide;(E)-N,4-diphenylbut-3-en-2-imine;iron
CID 11111198

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenylbut-3-en-2-imine?
The IUPAC name of N-methyl-4-phenylbut-3-en-2-imine (CID 15325561) is N-methyl-4-phenylbut-3-en-2-imine.
What is the SMILES notation for N-methyl-4-phenylbut-3-en-2-imine?
The canonical SMILES for N-methyl-4-phenylbut-3-en-2-imine is C/N=C(\C)C=Cc1ccccc1.
What is the InChIKey of N-methyl-4-phenylbut-3-en-2-imine?
The InChIKey is LTNHAAXPZPYYRP-HYSGBWKPSA-N. The full InChI is InChI=1S/C11H13N/c1-10(12-2)8-9-11-6-4-3-5-7-11/h3-9H,1-2H3/b9-8?,12-10+.
What are the key properties of N-methyl-4-phenylbut-3-en-2-imine?
N-methyl-4-phenylbut-3-en-2-imine has a molecular weight of 159.23 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenylbut-3-en-2-imine is sourced from PubChem (CID 15325561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).