(4E)-1-cyclohexyl-4-(1-cyclohexyl-2-oxopyrrolidin-3-ylidene)azetidine-2,3-dione

C19H26N2O3 — CID 6523752

IUPAC(4E)-1-cyclohexyl-4-(1-cyclohexyl-2-oxopyrrolidin-3-ylidene)azetidine-2,3-dione
SMILESO=C1C(=O)N(C2CCCCC2)/C1=C1\CCN(C2CCCCC2)C1=O
InChIInChI=1S/C19H26N2O3/c22-17-16(21(19(17)24)14-9-5-2-6-10-14)15-11-12-20(18(15)23)13-7-3-1-4-8-13/h13-14H,1-12H2/b16-15+
InChIKeyZVXUBKPNZXXAPX-FOCLMDBBSA-N
MW330.43 g/mol
LogP2.55
Rot. Bonds2

About (4E)-1-cyclohexyl-4-(1-cyclohexyl-2-oxopyrrolidin-3-ylidene)azetidine-2,3-dione

(4E)-1-cyclohexyl-4-(1-cyclohexyl-2-oxopyrrolidin-3-ylidene)azetidine-2,3-dione (PubChem CID 6523752) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (4E)-1-cyclohexyl-4-(1-cyclohexyl-2-oxopyrrolidin-3-ylidene)azetidine-2,3-dione.

Molecular Properties

Compound Name(4E)-1-cyclohexyl-4-(1-cyclohexyl-2-oxopyrrolidin-3-ylidene)azetidine-2,3-dione
PubChem CID6523752
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(4E)-1-cyclohexyl-4-(1-cyclohexyl-2-oxopyrrolidin-3-ylidene)azetidine-2,3-dione
SMILESO=C1C(=O)N(C2CCCCC2)/C1=C1\CCN(C2CCCCC2)C1=O
InChIInChI=1S/C19H26N2O3/c22-17-16(21(19(17)24)14-9-5-2-6-10-14)15-11-12-20(18(15)23)13-7-3-1-4-8-13/h13-14H,1-12H2/b16-15+
InChIKeyZVXUBKPNZXXAPX-FOCLMDBBSA-N
XLogP2.55
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4E)-1-cyclohexyl-4-(1-cyclohexyl-2-oxopyrrolidin-3-ylidene)azetidine-2,3-dione with MolForge

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Launch Full Analysis

Related Compounds

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1,3-dicyclohexyl-5-methylidene-1,3-diazinane-2,4-dione
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Frequently Asked Questions

What is the IUPAC name of (4E)-1-cyclohexyl-4-(1-cyclohexyl-2-oxopyrrolidin-3-ylidene)azetidine-2,3-dione?
The IUPAC name of (4E)-1-cyclohexyl-4-(1-cyclohexyl-2-oxopyrrolidin-3-ylidene)azetidine-2,3-dione (CID 6523752) is (4E)-1-cyclohexyl-4-(1-cyclohexyl-2-oxopyrrolidin-3-ylidene)azetidine-2,3-dione.
What is the SMILES notation for (4E)-1-cyclohexyl-4-(1-cyclohexyl-2-oxopyrrolidin-3-ylidene)azetidine-2,3-dione?
The canonical SMILES for (4E)-1-cyclohexyl-4-(1-cyclohexyl-2-oxopyrrolidin-3-ylidene)azetidine-2,3-dione is O=C1C(=O)N(C2CCCCC2)/C1=C1\CCN(C2CCCCC2)C1=O.
What is the InChIKey of (4E)-1-cyclohexyl-4-(1-cyclohexyl-2-oxopyrrolidin-3-ylidene)azetidine-2,3-dione?
The InChIKey is ZVXUBKPNZXXAPX-FOCLMDBBSA-N. The full InChI is InChI=1S/C19H26N2O3/c22-17-16(21(19(17)24)14-9-5-2-6-10-14)15-11-12-20(18(15)23)13-7-3-1-4-8-13/h13-14H,1-12H2/b16-15+.
What are the key properties of (4E)-1-cyclohexyl-4-(1-cyclohexyl-2-oxopyrrolidin-3-ylidene)azetidine-2,3-dione?
(4E)-1-cyclohexyl-4-(1-cyclohexyl-2-oxopyrrolidin-3-ylidene)azetidine-2,3-dione has a molecular weight of 330.43 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-1-cyclohexyl-4-(1-cyclohexyl-2-oxopyrrolidin-3-ylidene)azetidine-2,3-dione is sourced from PubChem (CID 6523752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).