(4Z)-4-(1-aminobut-3-en-2-ylidene)-1-(2,6-dioxopiperidin-3-yl)-3-methylidene-5-oxopyrrolidine-2-carbaldehyde

C15H17N3O4 — CID 142156229

IUPAC(4Z)-4-(1-aminobut-3-en-2-ylidene)-1-(2,6-dioxopiperidin-3-yl)-3-methylidene-5-oxopyrrolidine-2-carbaldehyde
SMILESC=C/C(CN)=C1\C(=C)C(C=O)N(C2CCC(=O)NC2=O)C1=O
InChIInChI=1S/C15H17N3O4/c1-3-9(6-16)13-8(2)11(7-19)18(15(13)22)10-4-5-12(20)17-14(10)21/h3,7,10-11H,1-2,4-6,16H2,(H,17,20,21)/b13-9-
InChIKeyATFANYIEQCFEMW-LCYFTJDESA-N
MW303.32 g/mol
LogP-0.80
Rot. Bonds4

About (4Z)-4-(1-aminobut-3-en-2-ylidene)-1-(2,6-dioxopiperidin-3-yl)-3-methylidene-5-oxopyrrolidine-2-carbaldehyde

(4Z)-4-(1-aminobut-3-en-2-ylidene)-1-(2,6-dioxopiperidin-3-yl)-3-methylidene-5-oxopyrrolidine-2-carbaldehyde (PubChem CID 142156229) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is (4Z)-4-(1-aminobut-3-en-2-ylidene)-1-(2,6-dioxopiperidin-3-yl)-3-methylidene-5-oxopyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name(4Z)-4-(1-aminobut-3-en-2-ylidene)-1-(2,6-dioxopiperidin-3-yl)-3-methylidene-5-oxopyrrolidine-2-carbaldehyde
PubChem CID142156229
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name(4Z)-4-(1-aminobut-3-en-2-ylidene)-1-(2,6-dioxopiperidin-3-yl)-3-methylidene-5-oxopyrrolidine-2-carbaldehyde
SMILESC=C/C(CN)=C1\C(=C)C(C=O)N(C2CCC(=O)NC2=O)C1=O
InChIInChI=1S/C15H17N3O4/c1-3-9(6-16)13-8(2)11(7-19)18(15(13)22)10-4-5-12(20)17-14(10)21/h3,7,10-11H,1-2,4-6,16H2,(H,17,20,21)/b13-9-
InChIKeyATFANYIEQCFEMW-LCYFTJDESA-N
XLogP-0.80
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4Z)-4-(1-aminobut-3-en-2-ylidene)-1-(2,6-dioxopiperidin-3-yl)-3-methylidene-5-oxopyrrolidine-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 88274952
CID 88274952
CID 134581938
CID 134581938
CID 142305954
CID 142305954
CID 142615726
CID 142615726
CID 142616400
CID 142616400
CID 142616415
CID 142616415
CID 155331461
CID 155331461
CID 155357881
CID 155357881
CID 155357898
CID 155357898
CID 155468820
CID 155468820
CID 155751620
CID 155751620
CID 156794846
CID 156794846

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(1-aminobut-3-en-2-ylidene)-1-(2,6-dioxopiperidin-3-yl)-3-methylidene-5-oxopyrrolidine-2-carbaldehyde?
The IUPAC name of (4Z)-4-(1-aminobut-3-en-2-ylidene)-1-(2,6-dioxopiperidin-3-yl)-3-methylidene-5-oxopyrrolidine-2-carbaldehyde (CID 142156229) is (4Z)-4-(1-aminobut-3-en-2-ylidene)-1-(2,6-dioxopiperidin-3-yl)-3-methylidene-5-oxopyrrolidine-2-carbaldehyde.
What is the SMILES notation for (4Z)-4-(1-aminobut-3-en-2-ylidene)-1-(2,6-dioxopiperidin-3-yl)-3-methylidene-5-oxopyrrolidine-2-carbaldehyde?
The canonical SMILES for (4Z)-4-(1-aminobut-3-en-2-ylidene)-1-(2,6-dioxopiperidin-3-yl)-3-methylidene-5-oxopyrrolidine-2-carbaldehyde is C=C/C(CN)=C1\C(=C)C(C=O)N(C2CCC(=O)NC2=O)C1=O.
What is the InChIKey of (4Z)-4-(1-aminobut-3-en-2-ylidene)-1-(2,6-dioxopiperidin-3-yl)-3-methylidene-5-oxopyrrolidine-2-carbaldehyde?
The InChIKey is ATFANYIEQCFEMW-LCYFTJDESA-N. The full InChI is InChI=1S/C15H17N3O4/c1-3-9(6-16)13-8(2)11(7-19)18(15(13)22)10-4-5-12(20)17-14(10)21/h3,7,10-11H,1-2,4-6,16H2,(H,17,20,21)/b13-9-.
What are the key properties of (4Z)-4-(1-aminobut-3-en-2-ylidene)-1-(2,6-dioxopiperidin-3-yl)-3-methylidene-5-oxopyrrolidine-2-carbaldehyde?
(4Z)-4-(1-aminobut-3-en-2-ylidene)-1-(2,6-dioxopiperidin-3-yl)-3-methylidene-5-oxopyrrolidine-2-carbaldehyde has a molecular weight of 303.32 g/mol, XLogP of -0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(1-aminobut-3-en-2-ylidene)-1-(2,6-dioxopiperidin-3-yl)-3-methylidene-5-oxopyrrolidine-2-carbaldehyde is sourced from PubChem (CID 142156229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).