cyclohexyl-[(3R)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]azanium

C20H23N2O2+ — CID 7439607

IUPACcyclohexyl-[(3R)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]azanium
SMILESO=C1C[C@@H]([NH2+]C2CCCCC2)C(=O)N1c1cccc2ccccc12
InChIInChI=1S/C20H22N2O2/c23-19-13-17(21-15-9-2-1-3-10-15)20(24)22(19)18-12-6-8-14-7-4-5-11-16(14)18/h4-8,11-12,15,17,21H,1-3,9-10,13H2/p+1/t17-/m1/s1
InChIKeyFRCDLXNELRDKBO-QGZVFWFLSA-O
MW323.42 g/mol
LogP2.37
Rot. Bonds3

About cyclohexyl-[(3R)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]azanium

cyclohexyl-[(3R)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]azanium (PubChem CID 7439607) has the molecular formula C20H23N2O2+ and a molecular weight of 323.42 g/mol. Its IUPAC name is cyclohexyl-[(3R)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]azanium.

Molecular Properties

Compound Namecyclohexyl-[(3R)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]azanium
PubChem CID7439607
Molecular FormulaC20H23N2O2+
Molecular Weight323.42 g/mol
Exact Mass323.18
IUPAC Namecyclohexyl-[(3R)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]azanium
SMILESO=C1C[C@@H]([NH2+]C2CCCCC2)C(=O)N1c1cccc2ccccc12
InChIInChI=1S/C20H22N2O2/c23-19-13-17(21-15-9-2-1-3-10-15)20(24)22(19)18-12-6-8-14-7-4-5-11-16(14)18/h4-8,11-12,15,17,21H,1-3,9-10,13H2/p+1/t17-/m1/s1
InChIKeyFRCDLXNELRDKBO-QGZVFWFLSA-O
XLogP2.37
TPSA53.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(3R)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]azanium?
The IUPAC name of cyclohexyl-[(3R)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]azanium (CID 7439607) is cyclohexyl-[(3R)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]azanium.
What is the SMILES notation for cyclohexyl-[(3R)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]azanium?
The canonical SMILES for cyclohexyl-[(3R)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]azanium is O=C1C[C@@H]([NH2+]C2CCCCC2)C(=O)N1c1cccc2ccccc12.
What is the InChIKey of cyclohexyl-[(3R)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]azanium?
The InChIKey is FRCDLXNELRDKBO-QGZVFWFLSA-O. The full InChI is InChI=1S/C20H22N2O2/c23-19-13-17(21-15-9-2-1-3-10-15)20(24)22(19)18-12-6-8-14-7-4-5-11-16(14)18/h4-8,11-12,15,17,21H,1-3,9-10,13H2/p+1/t17-/m1/s1.
What are the key properties of cyclohexyl-[(3R)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]azanium?
cyclohexyl-[(3R)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]azanium has a molecular weight of 323.42 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(3R)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]azanium is sourced from PubChem (CID 7439607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).