3-imino-2-(4-methoxyphenyl)prop-2-enal

C10H9NO2 — CID 135778343

IUPAC3-imino-2-(4-methoxyphenyl)prop-2-enal
SMILESCOc1ccc(C(=C=N)C=O)cc1
InChIInChI=1S/C10H9NO2/c1-13-10-4-2-8(3-5-10)9(6-11)7-12/h2-5,7,11H,1H3
InChIKeyZBQZDQQVRUXFSB-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.53
Rot. Bonds3

About 3-imino-2-(4-methoxyphenyl)prop-2-enal

3-imino-2-(4-methoxyphenyl)prop-2-enal (PubChem CID 135778343) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-imino-2-(4-methoxyphenyl)prop-2-enal.

Molecular Properties

Compound Name3-imino-2-(4-methoxyphenyl)prop-2-enal
PubChem CID135778343
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name3-imino-2-(4-methoxyphenyl)prop-2-enal
SMILESCOc1ccc(C(=C=N)C=O)cc1
InChIInChI=1S/C10H9NO2/c1-13-10-4-2-8(3-5-10)9(6-11)7-12/h2-5,7,11H,1H3
InChIKeyZBQZDQQVRUXFSB-UHFFFAOYSA-N
XLogP1.53
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2,4-bis(4-methoxyphenyl)but-2-enal
CID 10493156
2,3,3-tris(4-methoxyphenyl)prop-2-enal
CID 13400445
S-(3-oxoprop-1-en-2-yl) 4-methoxybenzenecarbothioate
CID 121220366
2-(4-hydroxyphenyl)-4-(4-methoxyphenyl)but-2-enal
CID 174932232
N-[1-(4-methoxyphenyl)ethenyl]formamide
CID 14117206
methyl 4-(4-methoxyphenyl)-5-oxopenta-2,4-dienoate
CID 141334918
(4-methoxyphenyl) 2-oxoacetate
CID 165359062
formic acid;methyl 4-methoxybenzoate
CID 159779883
4-(4-methoxybenzoyl)benzaldehyde
CID 56593020
(Z)-3-(4-methoxyphenyl)-3-sulfanylprop-2-enal
CID 14530924
N-formyl-4-methoxybenzamide
CID 10856056
CID 12714057
CID 12714057

Frequently Asked Questions

What is the IUPAC name of 3-imino-2-(4-methoxyphenyl)prop-2-enal?
The IUPAC name of 3-imino-2-(4-methoxyphenyl)prop-2-enal (CID 135778343) is 3-imino-2-(4-methoxyphenyl)prop-2-enal.
What is the SMILES notation for 3-imino-2-(4-methoxyphenyl)prop-2-enal?
The canonical SMILES for 3-imino-2-(4-methoxyphenyl)prop-2-enal is COc1ccc(C(=C=N)C=O)cc1.
What is the InChIKey of 3-imino-2-(4-methoxyphenyl)prop-2-enal?
The InChIKey is ZBQZDQQVRUXFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-13-10-4-2-8(3-5-10)9(6-11)7-12/h2-5,7,11H,1H3.
What are the key properties of 3-imino-2-(4-methoxyphenyl)prop-2-enal?
3-imino-2-(4-methoxyphenyl)prop-2-enal has a molecular weight of 175.19 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-2-(4-methoxyphenyl)prop-2-enal is sourced from PubChem (CID 135778343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).