(3Z)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propane-1,2-dione

C30H32N2O3 — CID 2332901

IUPAC(3Z)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propane-1,2-dione
SMILESCN1/C(=C\C(=O)C(=O)C2=C(N3CCOCC3)/C(=C/c3ccccc3)CC2)C(C)(C)c2ccccc21
InChIInChI=1S/C30H32N2O3/c1-30(2)24-11-7-8-12-25(24)31(3)27(30)20-26(33)29(34)23-14-13-22(19-21-9-5-4-6-10-21)28(23)32-15-17-35-18-16-32/h4-12,19-20H,13-18H2,1-3H3/b22-19+,27-20-
InChIKeyZZZUKLDLRLWYTQ-NTTDJHBSSA-N
MW468.60 g/mol
LogP4.90
Rot. Bonds5

About (3Z)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propane-1,2-dione

(3Z)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propane-1,2-dione (PubChem CID 2332901) has the molecular formula C30H32N2O3 and a molecular weight of 468.60 g/mol. Its IUPAC name is (3Z)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propane-1,2-dione.

Molecular Properties

Compound Name(3Z)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propane-1,2-dione
PubChem CID2332901
Molecular FormulaC30H32N2O3
Molecular Weight468.60 g/mol
Exact Mass468.24
IUPAC Name(3Z)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propane-1,2-dione
SMILESCN1/C(=C\C(=O)C(=O)C2=C(N3CCOCC3)/C(=C/c3ccccc3)CC2)C(C)(C)c2ccccc21
InChIInChI=1S/C30H32N2O3/c1-30(2)24-11-7-8-12-25(24)31(3)27(30)20-26(33)29(34)23-14-13-22(19-21-9-5-4-6-10-21)28(23)32-15-17-35-18-16-32/h4-12,19-20H,13-18H2,1-3H3/b22-19+,27-20-
InChIKeyZZZUKLDLRLWYTQ-NTTDJHBSSA-N
XLogP4.90
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3Z)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propane-1,2-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

1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-2-morpholin-4-ylethane-1,2-dione
CID 3458596
ethyl 3-benzylidene-2-morpholin-4-ylcyclopentene-1-carboxylate
CID 5026808
(3Z)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
CID 55498674
(3E)-1-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
CID 16585819
4-[2,5-bis[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]morpholin-4-ium
CID 59171319
(3Z)-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
CID 56526157
(1E)-3-[[5-morpholin-4-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1,3,3-trimethylindol-2-ylidene)butan-2-one
CID 60608761
1-(2,4-dichloro-5-morpholin-4-ylsulfonylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
CID 5067405
morpholin-4-yl-phenyl-sulfanylidene-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]-lambda5-phosphane
CID 2331348
(2Z)-1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
CID 2402485
ethyl 2-(1,3,3-trimethylindol-2-ylidene)acetate
CID 3275142
(2E)-1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
CID 2402484

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propane-1,2-dione?
The IUPAC name of (3Z)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propane-1,2-dione (CID 2332901) is (3Z)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propane-1,2-dione.
What is the SMILES notation for (3Z)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propane-1,2-dione?
The canonical SMILES for (3Z)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propane-1,2-dione is CN1/C(=C\C(=O)C(=O)C2=C(N3CCOCC3)/C(=C/c3ccccc3)CC2)C(C)(C)c2ccccc21.
What is the InChIKey of (3Z)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propane-1,2-dione?
The InChIKey is ZZZUKLDLRLWYTQ-NTTDJHBSSA-N. The full InChI is InChI=1S/C30H32N2O3/c1-30(2)24-11-7-8-12-25(24)31(3)27(30)20-26(33)29(34)23-14-13-22(19-21-9-5-4-6-10-21)28(23)32-15-17-35-18-16-32/h4-12,19-20H,13-18H2,1-3H3/b22-19+,27-20-.
What are the key properties of (3Z)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propane-1,2-dione?
(3Z)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propane-1,2-dione has a molecular weight of 468.60 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-3-(1,3,3-trimethylindol-2-ylidene)propane-1,2-dione is sourced from PubChem (CID 2332901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).