N-(4-methoxy-2-prop-1-en-2-ylphenyl)methanimine

C11H13NO — CID 145260845

IUPACN-(4-methoxy-2-prop-1-en-2-ylphenyl)methanimine
SMILESC=Nc1ccc(OC)cc1C(=C)C
InChIInChI=1S/C11H13NO/c1-8(2)10-7-9(13-4)5-6-11(10)12-3/h5-7H,1,3H2,2,4H3
InChIKeyKOWILGHZLKIOTG-UHFFFAOYSA-N
MW175.23 g/mol
LogP3.06
Rot. Bonds3

About N-(4-methoxy-2-prop-1-en-2-ylphenyl)methanimine

N-(4-methoxy-2-prop-1-en-2-ylphenyl)methanimine (PubChem CID 145260845) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is N-(4-methoxy-2-prop-1-en-2-ylphenyl)methanimine.

Molecular Properties

Compound NameN-(4-methoxy-2-prop-1-en-2-ylphenyl)methanimine
PubChem CID145260845
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC NameN-(4-methoxy-2-prop-1-en-2-ylphenyl)methanimine
SMILESC=Nc1ccc(OC)cc1C(=C)C
InChIInChI=1S/C11H13NO/c1-8(2)10-7-9(13-4)5-6-11(10)12-3/h5-7H,1,3H2,2,4H3
InChIKeyKOWILGHZLKIOTG-UHFFFAOYSA-N
XLogP3.06
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-methyl-1-prop-1-en-2-ylbenzene
CID 90442837
1-ethyl-4-methoxy-2-prop-1-en-2-ylbenzene
CID 70233927
5-methoxy-N-methyl-2-(methylideneamino)aniline
CID 143659024
4-methoxy-2-(methylideneamino)aniline
CID 163228388
4-methoxy-1-nitro-2-prop-1-en-2-ylbenzene
CID 53341761
2-ethyl-4-methoxy-1-prop-1-en-2-ylbenzene
CID 70232732
4-[1-[4-methoxy-2-(methylideneamino)phenyl]ethenoxy]benzenethiol
CID 168886662
ethane;N-(2-prop-1-en-2-ylphenyl)methanimine
CID 145330488
[1-(4-methoxy-2-prop-1-en-2-ylphenyl)propylideneamino] methanesulfonate
CID 139841466
tert-butyl N-(4-methoxy-2-prop-1-en-2-ylphenyl)carbamate
CID 71540754
2-fluoro-4-(4-methoxyphenyl)-1-prop-1-en-2-ylbenzene
CID 123711032
methyl 2-[2-[4-methoxy-2-(methylideneamino)phenyl]prop-2-enylamino]-2-methylpropanoate
CID 142929100

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-prop-1-en-2-ylphenyl)methanimine?
The IUPAC name of N-(4-methoxy-2-prop-1-en-2-ylphenyl)methanimine (CID 145260845) is N-(4-methoxy-2-prop-1-en-2-ylphenyl)methanimine.
What is the SMILES notation for N-(4-methoxy-2-prop-1-en-2-ylphenyl)methanimine?
The canonical SMILES for N-(4-methoxy-2-prop-1-en-2-ylphenyl)methanimine is C=Nc1ccc(OC)cc1C(=C)C.
What is the InChIKey of N-(4-methoxy-2-prop-1-en-2-ylphenyl)methanimine?
The InChIKey is KOWILGHZLKIOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8(2)10-7-9(13-4)5-6-11(10)12-3/h5-7H,1,3H2,2,4H3.
What are the key properties of N-(4-methoxy-2-prop-1-en-2-ylphenyl)methanimine?
N-(4-methoxy-2-prop-1-en-2-ylphenyl)methanimine has a molecular weight of 175.23 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-prop-1-en-2-ylphenyl)methanimine is sourced from PubChem (CID 145260845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).