(3Z)-3-[[2-(morpholin-4-ylmethyl)-3H-pyrrol-4-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one

C21H25N3O3 — CID 158406595

IUPAC(3Z)-3-[[2-(morpholin-4-ylmethyl)-3H-pyrrol-4-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one
SMILESCC(C)Oc1ccc2c(c1)/C(=C/C1=CN=C(CN3CCOCC3)C1)C(=O)N2
InChIInChI=1S/C21H25N3O3/c1-14(2)27-17-3-4-20-18(11-17)19(21(25)23-20)10-15-9-16(22-12-15)13-24-5-7-26-8-6-24/h3-4,10-12,14H,5-9,13H2,1-2H3,(H,23,25)/b19-10-
InChIKeyGYTWGTMGOGKEDD-GRSHGNNSSA-N
MW367.45 g/mol
LogP2.87
Rot. Bonds5

About (3Z)-3-[[2-(morpholin-4-ylmethyl)-3H-pyrrol-4-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one

(3Z)-3-[[2-(morpholin-4-ylmethyl)-3H-pyrrol-4-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one (PubChem CID 158406595) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is (3Z)-3-[[2-(morpholin-4-ylmethyl)-3H-pyrrol-4-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[[2-(morpholin-4-ylmethyl)-3H-pyrrol-4-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one
PubChem CID158406595
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name(3Z)-3-[[2-(morpholin-4-ylmethyl)-3H-pyrrol-4-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one
SMILESCC(C)Oc1ccc2c(c1)/C(=C/C1=CN=C(CN3CCOCC3)C1)C(=O)N2
InChIInChI=1S/C21H25N3O3/c1-14(2)27-17-3-4-20-18(11-17)19(21(25)23-20)10-15-9-16(22-12-15)13-24-5-7-26-8-6-24/h3-4,10-12,14H,5-9,13H2,1-2H3,(H,23,25)/b19-10-
InChIKeyGYTWGTMGOGKEDD-GRSHGNNSSA-N
XLogP2.87
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3Z)-3-[[2-(morpholin-4-ylmethyl)-3H-pyrrol-4-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[2-(morpholin-4-ylmethyl)-3H-pyrrol-4-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one?
The IUPAC name of (3Z)-3-[[2-(morpholin-4-ylmethyl)-3H-pyrrol-4-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one (CID 158406595) is (3Z)-3-[[2-(morpholin-4-ylmethyl)-3H-pyrrol-4-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[[2-(morpholin-4-ylmethyl)-3H-pyrrol-4-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[[2-(morpholin-4-ylmethyl)-3H-pyrrol-4-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one is CC(C)Oc1ccc2c(c1)/C(=C/C1=CN=C(CN3CCOCC3)C1)C(=O)N2.
What is the InChIKey of (3Z)-3-[[2-(morpholin-4-ylmethyl)-3H-pyrrol-4-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one?
The InChIKey is GYTWGTMGOGKEDD-GRSHGNNSSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-14(2)27-17-3-4-20-18(11-17)19(21(25)23-20)10-15-9-16(22-12-15)13-24-5-7-26-8-6-24/h3-4,10-12,14H,5-9,13H2,1-2H3,(H,23,25)/b19-10-.
What are the key properties of (3Z)-3-[[2-(morpholin-4-ylmethyl)-3H-pyrrol-4-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one?
(3Z)-3-[[2-(morpholin-4-ylmethyl)-3H-pyrrol-4-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one has a molecular weight of 367.45 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[2-(morpholin-4-ylmethyl)-3H-pyrrol-4-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one is sourced from PubChem (CID 158406595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).