(Z)-2-amino-3-(3-methoxyphenyl)prop-2-enal

C10H11NO2 — CID 134285602

IUPAC(Z)-2-amino-3-(3-methoxyphenyl)prop-2-enal
SMILESCOc1cccc(/C=C(\N)C=O)c1
InChIInChI=1S/C10H11NO2/c1-13-10-4-2-3-8(6-10)5-9(11)7-12/h2-7H,11H2,1H3/b9-5-
InChIKeyTUIGCZDSELNZNV-UITAMQMPSA-N
MW177.20 g/mol
LogP1.19
Rot. Bonds3

About (Z)-2-amino-3-(3-methoxyphenyl)prop-2-enal

(Z)-2-amino-3-(3-methoxyphenyl)prop-2-enal (PubChem CID 134285602) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (Z)-2-amino-3-(3-methoxyphenyl)prop-2-enal.

Molecular Properties

Compound Name(Z)-2-amino-3-(3-methoxyphenyl)prop-2-enal
PubChem CID134285602
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(Z)-2-amino-3-(3-methoxyphenyl)prop-2-enal
SMILESCOc1cccc(/C=C(\N)C=O)c1
InChIInChI=1S/C10H11NO2/c1-13-10-4-2-3-8(6-10)5-9(11)7-12/h2-7H,11H2,1H3/b9-5-
InChIKeyTUIGCZDSELNZNV-UITAMQMPSA-N
XLogP1.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.19
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

3-(3-methoxyphenyl)-2-methylprop-2-enal
CID 54057122
(E)-2-bromo-3-(3-methoxyphenyl)prop-2-enal
CID 172528523
(E)-3-(3-methoxyphenyl)-2-methylprop-2-enamide
CID 5375231
methyl 2-amino-3-(3-methoxyphenyl)prop-2-enoate
CID 141072187
(Z)-2-cyano-3-(3-methoxyphenyl)prop-2-enamide
CID 2057524
3-(3-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 79329386
ethyl (E)-3-(3-methoxyphenyl)-2-methylprop-2-enoate
CID 104503715
(E)-3-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-en-1-amine
CID 115038095
1-[(Z)-2-ethoxy-3-fluoroprop-1-enyl]-3-methoxybenzene
CID 20530618
methyl 2-[(3-methoxyphenyl)methylidene]-3-oxobutanoate
CID 54100081
(E)-2,3-bis(3-methoxyphenyl)prop-2-enoic acid
CID 13378251
(2-amino-2-oxoethyl) 3-(3-methoxyphenyl)-2-phenylprop-2-enoate
CID 3291781

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-3-(3-methoxyphenyl)prop-2-enal?
The IUPAC name of (Z)-2-amino-3-(3-methoxyphenyl)prop-2-enal (CID 134285602) is (Z)-2-amino-3-(3-methoxyphenyl)prop-2-enal.
What is the SMILES notation for (Z)-2-amino-3-(3-methoxyphenyl)prop-2-enal?
The canonical SMILES for (Z)-2-amino-3-(3-methoxyphenyl)prop-2-enal is COc1cccc(/C=C(\N)C=O)c1.
What is the InChIKey of (Z)-2-amino-3-(3-methoxyphenyl)prop-2-enal?
The InChIKey is TUIGCZDSELNZNV-UITAMQMPSA-N. The full InChI is InChI=1S/C10H11NO2/c1-13-10-4-2-3-8(6-10)5-9(11)7-12/h2-7H,11H2,1H3/b9-5-.
What are the key properties of (Z)-2-amino-3-(3-methoxyphenyl)prop-2-enal?
(Z)-2-amino-3-(3-methoxyphenyl)prop-2-enal has a molecular weight of 177.20 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-(3-methoxyphenyl)prop-2-enal is sourced from PubChem (CID 134285602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).