(Z)-3-amino-2-(2-methoxy-4-methylphenyl)prop-2-enal

C11H13NO2 — CID 165395610

IUPAC(Z)-3-amino-2-(2-methoxy-4-methylphenyl)prop-2-enal
SMILESCOc1cc(C)ccc1/C(C=O)=C/N
InChIInChI=1S/C11H13NO2/c1-8-3-4-10(9(6-12)7-13)11(5-8)14-2/h3-7H,12H2,1-2H3/b9-6+
InChIKeyYXXCBJBNCJPTLL-RMKNXTFCSA-N
MW191.23 g/mol
LogP1.50
Rot. Bonds3

About (Z)-3-amino-2-(2-methoxy-4-methylphenyl)prop-2-enal

(Z)-3-amino-2-(2-methoxy-4-methylphenyl)prop-2-enal (PubChem CID 165395610) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (Z)-3-amino-2-(2-methoxy-4-methylphenyl)prop-2-enal.

Molecular Properties

Compound Name(Z)-3-amino-2-(2-methoxy-4-methylphenyl)prop-2-enal
PubChem CID165395610
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(Z)-3-amino-2-(2-methoxy-4-methylphenyl)prop-2-enal
SMILESCOc1cc(C)ccc1/C(C=O)=C/N
InChIInChI=1S/C11H13NO2/c1-8-3-4-10(9(6-12)7-13)11(5-8)14-2/h3-7H,12H2,1-2H3/b9-6+
InChIKeyYXXCBJBNCJPTLL-RMKNXTFCSA-N
XLogP1.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-4-methylbenzenecarboximidamide
CID 62306767
ethyl 2-(2-methoxy-4-methylbenzoyl)-3-methylbutanoate
CID 106792938
2-methylpropyl 2-methoxy-4-methylbenzoate
CID 141306404
(Z)-4-(dimethylamino)-3-(2-methoxy-4-methylphenyl)but-3-en-2-one
CID 129088973
(E)-4-hydroxy-2-(2,4,5-trimethoxyphenyl)but-2-enal
CID 10824679
(2Z)-2-[1-(2-methoxy-4-methylphenyl)ethylidene]butanedioic acid
CID 127258389
1-(2-methoxy-4-methylphenyl)-2-prop-2-enoxyethanone
CID 62029110
sodium;hydride;2-methoxy-4-methylphenol
CID 174706082
(4-amino-2-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 104784994
2-(3,5-dimethylphenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790381
(E)-1-(2-methoxy-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 24561832
CID 131844912
CID 131844912

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-(2-methoxy-4-methylphenyl)prop-2-enal?
The IUPAC name of (Z)-3-amino-2-(2-methoxy-4-methylphenyl)prop-2-enal (CID 165395610) is (Z)-3-amino-2-(2-methoxy-4-methylphenyl)prop-2-enal.
What is the SMILES notation for (Z)-3-amino-2-(2-methoxy-4-methylphenyl)prop-2-enal?
The canonical SMILES for (Z)-3-amino-2-(2-methoxy-4-methylphenyl)prop-2-enal is COc1cc(C)ccc1/C(C=O)=C/N.
What is the InChIKey of (Z)-3-amino-2-(2-methoxy-4-methylphenyl)prop-2-enal?
The InChIKey is YXXCBJBNCJPTLL-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8-3-4-10(9(6-12)7-13)11(5-8)14-2/h3-7H,12H2,1-2H3/b9-6+.
What are the key properties of (Z)-3-amino-2-(2-methoxy-4-methylphenyl)prop-2-enal?
(Z)-3-amino-2-(2-methoxy-4-methylphenyl)prop-2-enal has a molecular weight of 191.23 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-(2-methoxy-4-methylphenyl)prop-2-enal is sourced from PubChem (CID 165395610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).