(3Z)-3-[1-(1,2-dimethylindol-3-yl)ethylidene]-4-propan-2-ylidene-1,6-dioxecane-2,5-dione

C23H27NO4 — CID 15200727

IUPAC(3Z)-3-[1-(1,2-dimethylindol-3-yl)ethylidene]-4-propan-2-ylidene-1,6-dioxecane-2,5-dione
SMILESCC(C)=C1C(=O)OCCCCOC(=O)/C1=C(/C)c1c(C)n(C)c2ccccc12
InChIInChI=1S/C23H27NO4/c1-14(2)19-21(23(26)28-13-9-8-12-27-22(19)25)15(3)20-16(4)24(5)18-11-7-6-10-17(18)20/h6-7,10-11H,8-9,12-13H2,1-5H3/b21-15-
InChIKeyZCKMDNLDZQBOLQ-QNGOZBTKSA-N
MW381.47 g/mol
LogP4.48
Rot. Bonds1

About (3Z)-3-[1-(1,2-dimethylindol-3-yl)ethylidene]-4-propan-2-ylidene-1,6-dioxecane-2,5-dione

(3Z)-3-[1-(1,2-dimethylindol-3-yl)ethylidene]-4-propan-2-ylidene-1,6-dioxecane-2,5-dione (PubChem CID 15200727) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is (3Z)-3-[1-(1,2-dimethylindol-3-yl)ethylidene]-4-propan-2-ylidene-1,6-dioxecane-2,5-dione.

Molecular Properties

Compound Name(3Z)-3-[1-(1,2-dimethylindol-3-yl)ethylidene]-4-propan-2-ylidene-1,6-dioxecane-2,5-dione
PubChem CID15200727
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name(3Z)-3-[1-(1,2-dimethylindol-3-yl)ethylidene]-4-propan-2-ylidene-1,6-dioxecane-2,5-dione
SMILESCC(C)=C1C(=O)OCCCCOC(=O)/C1=C(/C)c1c(C)n(C)c2ccccc12
InChIInChI=1S/C23H27NO4/c1-14(2)19-21(23(26)28-13-9-8-12-27-22(19)25)15(3)20-16(4)24(5)18-11-7-6-10-17(18)20/h6-7,10-11H,8-9,12-13H2,1-5H3/b21-15-
InChIKeyZCKMDNLDZQBOLQ-QNGOZBTKSA-N
XLogP4.48
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3Z)-3-[1-(1,2-dimethylindol-3-yl)ethylidene]-4-propan-2-ylidene-1,6-dioxecane-2,5-dione 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

2-(9H-Carbazol-9-yl)ethyl methacrylate
CID 1714882
2-cyclohexylidene-3-[(1-methyl-1H-indol-3-yl)methylene]succinic acid
CID 875062
ethyl (2Z)-2-cyano-3-(1-methylindol-3-yl)prop-2-enoate
CID 5412270
(E)-isopropyl 2-cyano-3-(1-methyl-1H-indol-3-yl)acrylate
CID 917117
ethyl 2-acetyl-3-{5-nitro-1,2-dimethyl-1H-indol-3-yl}acrylate
CID 786063
(E)-ethyl 3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylate
CID 828079
2-(9H-Carbazol-9-yl)ethyl acrylate
CID 3311244
ethyl (E)-2-cyano-3-(1-phenylindol-3-yl)prop-2-enoate
CID 137374837
ethyl (E)-2,4-dioxo-6-[1-[(E)-prop-1-enyl]indol-3-yl]hex-5-enoate
CID 73346576
ethyl (E)-6-[1-(2-methylprop-2-enyl)indol-3-yl]-2,4-dioxohex-5-enoate
CID 73346577
ethyl (E)-6-(1-butylindol-3-yl)-2,4-dioxohex-5-enoate
CID 73348070
ethyl (E)-2,4-dioxo-6-(1-propylindol-3-yl)hex-5-enoate
CID 73354141

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[1-(1,2-dimethylindol-3-yl)ethylidene]-4-propan-2-ylidene-1,6-dioxecane-2,5-dione?
The IUPAC name of (3Z)-3-[1-(1,2-dimethylindol-3-yl)ethylidene]-4-propan-2-ylidene-1,6-dioxecane-2,5-dione (CID 15200727) is (3Z)-3-[1-(1,2-dimethylindol-3-yl)ethylidene]-4-propan-2-ylidene-1,6-dioxecane-2,5-dione.
What is the SMILES notation for (3Z)-3-[1-(1,2-dimethylindol-3-yl)ethylidene]-4-propan-2-ylidene-1,6-dioxecane-2,5-dione?
The canonical SMILES for (3Z)-3-[1-(1,2-dimethylindol-3-yl)ethylidene]-4-propan-2-ylidene-1,6-dioxecane-2,5-dione is CC(C)=C1C(=O)OCCCCOC(=O)/C1=C(/C)c1c(C)n(C)c2ccccc12.
What is the InChIKey of (3Z)-3-[1-(1,2-dimethylindol-3-yl)ethylidene]-4-propan-2-ylidene-1,6-dioxecane-2,5-dione?
The InChIKey is ZCKMDNLDZQBOLQ-QNGOZBTKSA-N. The full InChI is InChI=1S/C23H27NO4/c1-14(2)19-21(23(26)28-13-9-8-12-27-22(19)25)15(3)20-16(4)24(5)18-11-7-6-10-17(18)20/h6-7,10-11H,8-9,12-13H2,1-5H3/b21-15-.
What are the key properties of (3Z)-3-[1-(1,2-dimethylindol-3-yl)ethylidene]-4-propan-2-ylidene-1,6-dioxecane-2,5-dione?
(3Z)-3-[1-(1,2-dimethylindol-3-yl)ethylidene]-4-propan-2-ylidene-1,6-dioxecane-2,5-dione has a molecular weight of 381.47 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[1-(1,2-dimethylindol-3-yl)ethylidene]-4-propan-2-ylidene-1,6-dioxecane-2,5-dione is sourced from PubChem (CID 15200727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).