(Z)-3-(2-methylphenyl)but-2-en-1-imine

C11H13N — CID 118097726

IUPAC(Z)-3-(2-methylphenyl)but-2-en-1-imine
SMILES[H]/N=C/C=C(/C)c1ccccc1C
InChIInChI=1S/C11H13N/c1-9-5-3-4-6-11(9)10(2)7-8-12/h3-8,12H,1-2H3/b10-7-,12-8+
InChIKeyRTGKZFLFUJBUPW-MITUOZDPSA-N
MW159.23 g/mol
LogP3.05
Rot. Bonds2

About (Z)-3-(2-methylphenyl)but-2-en-1-imine

(Z)-3-(2-methylphenyl)but-2-en-1-imine (PubChem CID 118097726) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is (Z)-3-(2-methylphenyl)but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-3-(2-methylphenyl)but-2-en-1-imine
PubChem CID118097726
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name(Z)-3-(2-methylphenyl)but-2-en-1-imine
SMILES[H]/N=C/C=C(/C)c1ccccc1C
InChIInChI=1S/C11H13N/c1-9-5-3-4-6-11(9)10(2)7-8-12/h3-8,12H,1-2H3/b10-7-,12-8+
InChIKeyRTGKZFLFUJBUPW-MITUOZDPSA-N
XLogP3.05
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 53.05
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-[(E)-but-2-en-2-yl]-2-methylbenzene
CID 12835573
1-methyl-2-[3-(2-methylphenyl)but-2-enyl]benzene
CID 54424619
[2-methyl-6-[(2Z)-penta-2,4-dien-2-yl]phenyl]methanimine
CID 166874365
(Z)-4-(2-methylphenyl)pent-3-en-2-one
CID 67605542
1-methyl-2-(1-phenylprop-1-en-2-yl)benzene
CID 606421
1-methyl-2-[(2E)-octa-2,4,7-trien-2-yl]benzene
CID 142986791
(Z)-1-(2,6-dimethylphenyl)-3-iminoprop-1-en-1-amine
CID 163243515
acetylene;1-methyl-2-[(E)-pent-2-en-2-yl]benzene
CID 143336737
1-methyl-2-[(Z)-5-methyl-4-methylidenehex-2-en-2-yl]benzene
CID 163229113
N-methyl-4-(2-methylphenyl)pent-3-en-1-amine
CID 79599588
(E)-3-(2,3-dimethylphenyl)but-2-enal
CID 71623071
(E)-3-[3-[2-(2-ethenyl-3-methylphenyl)ethyl]-2-pyridinyl]but-2-en-1-imine
CID 166876690

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-methylphenyl)but-2-en-1-imine?
The IUPAC name of (Z)-3-(2-methylphenyl)but-2-en-1-imine (CID 118097726) is (Z)-3-(2-methylphenyl)but-2-en-1-imine.
What is the SMILES notation for (Z)-3-(2-methylphenyl)but-2-en-1-imine?
The canonical SMILES for (Z)-3-(2-methylphenyl)but-2-en-1-imine is [H]/N=C/C=C(/C)c1ccccc1C.
What is the InChIKey of (Z)-3-(2-methylphenyl)but-2-en-1-imine?
The InChIKey is RTGKZFLFUJBUPW-MITUOZDPSA-N. The full InChI is InChI=1S/C11H13N/c1-9-5-3-4-6-11(9)10(2)7-8-12/h3-8,12H,1-2H3/b10-7-,12-8+.
What are the key properties of (Z)-3-(2-methylphenyl)but-2-en-1-imine?
(Z)-3-(2-methylphenyl)but-2-en-1-imine has a molecular weight of 159.23 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-methylphenyl)but-2-en-1-imine is sourced from PubChem (CID 118097726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).