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

C10H11NO2 — CID 173430075

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

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

(E)-3-amino-2-(3-methoxyphenyl)prop-2-enal (PubChem CID 173430075) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (E)-3-amino-2-(3-methoxyphenyl)prop-2-enal.

Molecular Properties

Compound Name(E)-3-amino-2-(3-methoxyphenyl)prop-2-enal
PubChem CID173430075
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(E)-3-amino-2-(3-methoxyphenyl)prop-2-enal
SMILESCOc1cccc(/C(C=O)=C\N)c1
InChIInChI=1S/C10H11NO2/c1-13-10-4-2-3-8(5-10)9(6-11)7-12/h2-7H,11H2,1H3/b9-6-
InChIKeyYXMKPZGHLWAYKC-TWGQIWQCSA-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

(E)-4,4,4-trifluoro-2-(3-methoxyphenyl)but-2-enal
CID 122211195
2-(3-methoxyphenyl)-2-oxoacetamide
CID 116924501
(E)-2-(6-methoxynaphthalen-2-yl)-3-phenylprop-2-enal
CID 71812647
1-(3-methoxyphenyl)-2-pyridin-4-ylethane-1,2-dione
CID 18704760
(3Z)-4-(3-methoxyphenyl)buta-1,3-diene-1,1,4-triamine
CID 178030390
(1-aminocyclopropyl)-(3-methoxyphenyl)methanone
CID 116576589
1-(3-methoxyphenyl)ethylideneazanium
CID 135086476
N,N-dihydroxy-3-methoxybenzamide
CID 91426750
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
N-[2-(3-methoxyphenyl)-2-oxoethyl]formamide
CID 87584613
(E)-4,4,4-trifluoro-3-(3-methoxyphenyl)but-2-en-1-amine
CID 115038096
(Z)-2-amino-3-(3-methoxyphenyl)prop-2-enal
CID 134285602

Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-2-(3-methoxyphenyl)prop-2-enal?
The IUPAC name of (E)-3-amino-2-(3-methoxyphenyl)prop-2-enal (CID 173430075) is (E)-3-amino-2-(3-methoxyphenyl)prop-2-enal.
What is the SMILES notation for (E)-3-amino-2-(3-methoxyphenyl)prop-2-enal?
The canonical SMILES for (E)-3-amino-2-(3-methoxyphenyl)prop-2-enal is COc1cccc(/C(C=O)=C\N)c1.
What is the InChIKey of (E)-3-amino-2-(3-methoxyphenyl)prop-2-enal?
The InChIKey is YXMKPZGHLWAYKC-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H11NO2/c1-13-10-4-2-3-8(5-10)9(6-11)7-12/h2-7H,11H2,1H3/b9-6-.
What are the key properties of (E)-3-amino-2-(3-methoxyphenyl)prop-2-enal?
(E)-3-amino-2-(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 (E)-3-amino-2-(3-methoxyphenyl)prop-2-enal is sourced from PubChem (CID 173430075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).