3-[(2-hydroxycyclohexyl)methylamino]pyrrolidine-2,5-dione

C11H18N2O3 — CID 64913866

IUPAC3-[(2-hydroxycyclohexyl)methylamino]pyrrolidine-2,5-dione
SMILESO=C1CC(NCC2CCCCC2O)C(=O)N1
InChIInChI=1S/C11H18N2O3/c14-9-4-2-1-3-7(9)6-12-8-5-10(15)13-11(8)16/h7-9,12,14H,1-6H2,(H,13,15,16)
InChIKeyNVVVPGFZSJNUMY-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.46
Rot. Bonds3

About 3-[(2-hydroxycyclohexyl)methylamino]pyrrolidine-2,5-dione

3-[(2-hydroxycyclohexyl)methylamino]pyrrolidine-2,5-dione (PubChem CID 64913866) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-[(2-hydroxycyclohexyl)methylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(2-hydroxycyclohexyl)methylamino]pyrrolidine-2,5-dione
PubChem CID64913866
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-[(2-hydroxycyclohexyl)methylamino]pyrrolidine-2,5-dione
SMILESO=C1CC(NCC2CCCCC2O)C(=O)N1
InChIInChI=1S/C11H18N2O3/c14-9-4-2-1-3-7(9)6-12-8-5-10(15)13-11(8)16/h7-9,12,14H,1-6H2,(H,13,15,16)
InChIKeyNVVVPGFZSJNUMY-UHFFFAOYSA-N
XLogP-0.46
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxycyclohexyl)methylamino]pyrrolidine-2,5-dione?
The IUPAC name of 3-[(2-hydroxycyclohexyl)methylamino]pyrrolidine-2,5-dione (CID 64913866) is 3-[(2-hydroxycyclohexyl)methylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(2-hydroxycyclohexyl)methylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(2-hydroxycyclohexyl)methylamino]pyrrolidine-2,5-dione is O=C1CC(NCC2CCCCC2O)C(=O)N1.
What is the InChIKey of 3-[(2-hydroxycyclohexyl)methylamino]pyrrolidine-2,5-dione?
The InChIKey is NVVVPGFZSJNUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-9-4-2-1-3-7(9)6-12-8-5-10(15)13-11(8)16/h7-9,12,14H,1-6H2,(H,13,15,16).
What are the key properties of 3-[(2-hydroxycyclohexyl)methylamino]pyrrolidine-2,5-dione?
3-[(2-hydroxycyclohexyl)methylamino]pyrrolidine-2,5-dione has a molecular weight of 226.28 g/mol, XLogP of -0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxycyclohexyl)methylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 64913866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).