2-methanimidoyl-4-(2-methylidenebut-3-enyl)phenol;prop-1-ene

C15H19NO — CID 142190081

IUPAC2-methanimidoyl-4-(2-methylidenebut-3-enyl)phenol;prop-1-ene
SMILESC=CC.[H]/N=C/c1cc(CC(=C)C=C)ccc1O
InChIInChI=1S/C12H13NO.C3H6/c1-3-9(2)6-10-4-5-12(14)11(7-10)8-13;1-3-2/h3-5,7-8,13-14H,1-2,6H2;3H,1H2,2H3/b13-8+;
InChIKeyPVGFKADUDMBGMW-FNXZNAJJSA-N
MW229.32 g/mol
LogP3.87
Rot. Bonds4

About 2-methanimidoyl-4-(2-methylidenebut-3-enyl)phenol;prop-1-ene

2-methanimidoyl-4-(2-methylidenebut-3-enyl)phenol;prop-1-ene (PubChem CID 142190081) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-methanimidoyl-4-(2-methylidenebut-3-enyl)phenol;prop-1-ene.

Molecular Properties

Compound Name2-methanimidoyl-4-(2-methylidenebut-3-enyl)phenol;prop-1-ene
PubChem CID142190081
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-methanimidoyl-4-(2-methylidenebut-3-enyl)phenol;prop-1-ene
SMILESC=CC.[H]/N=C/c1cc(CC(=C)C=C)ccc1O
InChIInChI=1S/C12H13NO.C3H6/c1-3-9(2)6-10-4-5-12(14)11(7-10)8-13;1-3-2/h3-5,7-8,13-14H,1-2,6H2;3H,1H2,2H3/b13-8+;
InChIKeyPVGFKADUDMBGMW-FNXZNAJJSA-N
XLogP3.87
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-2-aminoethenyl]-[(4-hydroxy-3-methanimidoylphenyl)methoxymethylidene]-methylazanium
CID 143853294
[2-methyl-5-[(3E)-penta-1,3-dien-3-yl]phenyl]methanimine
CID 145262211
1-ethyl-4-(2-methylidenebut-3-enyl)benzene;methane;2-methylbut-1-ene
CID 143774858
2-hydroxy-5-(2-oxopropyl)benzaldehyde
CID 130776393
4-[[4-hydroxy-3-[(Z)-hydroxyiminomethyl]phenyl]methyl]-2-[(Z)-hydroxyiminomethyl]phenol
CID 136864512
4-(aminomethyl)-2-methanimidoylaniline;ethane
CID 143089869
4-methyl-N-[4-(2-methylidenebut-3-enyl)phenyl]-N-(4-methylphenyl)aniline
CID 59728644
2,4-bis(2-methylprop-2-enyl)phenol
CID 139609254
[3-methanimidoyl-4-[(Z)-3-methylbut-1-enyl]phenyl]methanol
CID 143533221
ethane;methane;1-methyl-3-(2-methylidenebut-3-enyl)benzene;1-methyl-3-[(3-methylphenyl)methyl]benzene;1,3-xylene
CID 143113149
ethane;1-methyl-4-(2-methylidenebut-3-enyl)benzene;1-methyl-4-[4-[(E)-prop-1-enyl]phenyl]benzene
CID 145217102
2-diazenyl-3,4-bis(ethenyl)phenol;ethane
CID 142860543

Frequently Asked Questions

What is the IUPAC name of 2-methanimidoyl-4-(2-methylidenebut-3-enyl)phenol;prop-1-ene?
The IUPAC name of 2-methanimidoyl-4-(2-methylidenebut-3-enyl)phenol;prop-1-ene (CID 142190081) is 2-methanimidoyl-4-(2-methylidenebut-3-enyl)phenol;prop-1-ene.
What is the SMILES notation for 2-methanimidoyl-4-(2-methylidenebut-3-enyl)phenol;prop-1-ene?
The canonical SMILES for 2-methanimidoyl-4-(2-methylidenebut-3-enyl)phenol;prop-1-ene is C=CC.[H]/N=C/c1cc(CC(=C)C=C)ccc1O.
What is the InChIKey of 2-methanimidoyl-4-(2-methylidenebut-3-enyl)phenol;prop-1-ene?
The InChIKey is PVGFKADUDMBGMW-FNXZNAJJSA-N. The full InChI is InChI=1S/C12H13NO.C3H6/c1-3-9(2)6-10-4-5-12(14)11(7-10)8-13;1-3-2/h3-5,7-8,13-14H,1-2,6H2;3H,1H2,2H3/b13-8+;.
What are the key properties of 2-methanimidoyl-4-(2-methylidenebut-3-enyl)phenol;prop-1-ene?
2-methanimidoyl-4-(2-methylidenebut-3-enyl)phenol;prop-1-ene has a molecular weight of 229.32 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-4-(2-methylidenebut-3-enyl)phenol;prop-1-ene is sourced from PubChem (CID 142190081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).