3-[(4-hydroxycyclohexyl)methylamino]pyrrolidine-2,5-dione

C11H18N2O3 — CID 106133147

IUPAC3-[(4-hydroxycyclohexyl)methylamino]pyrrolidine-2,5-dione
SMILESO=C1CC(NCC2CCC(O)CC2)C(=O)N1
InChIInChI=1S/C11H18N2O3/c14-8-3-1-7(2-4-8)6-12-9-5-10(15)13-11(9)16/h7-9,12,14H,1-6H2,(H,13,15,16)
InChIKeyPSEBOZRWOSGEEN-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.46
Rot. Bonds3

About 3-[(4-hydroxycyclohexyl)methylamino]pyrrolidine-2,5-dione

3-[(4-hydroxycyclohexyl)methylamino]pyrrolidine-2,5-dione (PubChem CID 106133147) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-[(4-hydroxycyclohexyl)methylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(4-hydroxycyclohexyl)methylamino]pyrrolidine-2,5-dione
PubChem CID106133147
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-[(4-hydroxycyclohexyl)methylamino]pyrrolidine-2,5-dione
SMILESO=C1CC(NCC2CCC(O)CC2)C(=O)N1
InChIInChI=1S/C11H18N2O3/c14-8-3-1-7(2-4-8)6-12-9-5-10(15)13-11(9)16/h7-9,12,14H,1-6H2,(H,13,15,16)
InChIKeyPSEBOZRWOSGEEN-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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Related Compounds

4-amino-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 123171011
3-[(4-Hydroxycyclohexyl)amino]pyrrolidine-2,5-dione
CID 43637680
3-[3-(2-Hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 62356817
3-[[1-(Hydroxymethyl)cyclohexyl]amino]pyrrolidine-2,5-dione
CID 62521870
3-[(2-Hydroxycyclohexyl)methylamino]-1-methylpyrrolidin-2-one
CID 64911156
1-[(2-Hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)pyrrolidin-2-one
CID 64912762
3-(Ethylamino)-1-[(2-hydroxycyclohexyl)methyl]pyrrolidin-2-one
CID 64912947
1-[(2-Hydroxycyclohexyl)methyl]-3-(methylamino)pyrrolidin-2-one
CID 64912951
1-[(2-Hydroxycyclohexyl)methyl]-3-(propylamino)pyrrolidin-2-one
CID 64912952
3-[(2-Hydroxycyclohexyl)methylamino]pyrrolidine-2,5-dione
CID 64913866
2-amino-N-[(2-hydroxycyclohexyl)methyl]butanediamide
CID 64913901
3-[(1-Hydroxycyclohexyl)methylamino]pyrrolidine-2,5-dione
CID 65108581

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxycyclohexyl)methylamino]pyrrolidine-2,5-dione?
The IUPAC name of 3-[(4-hydroxycyclohexyl)methylamino]pyrrolidine-2,5-dione (CID 106133147) is 3-[(4-hydroxycyclohexyl)methylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(4-hydroxycyclohexyl)methylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(4-hydroxycyclohexyl)methylamino]pyrrolidine-2,5-dione is O=C1CC(NCC2CCC(O)CC2)C(=O)N1.
What is the InChIKey of 3-[(4-hydroxycyclohexyl)methylamino]pyrrolidine-2,5-dione?
The InChIKey is PSEBOZRWOSGEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-8-3-1-7(2-4-8)6-12-9-5-10(15)13-11(9)16/h7-9,12,14H,1-6H2,(H,13,15,16).
What are the key properties of 3-[(4-hydroxycyclohexyl)methylamino]pyrrolidine-2,5-dione?
3-[(4-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-[(4-hydroxycyclohexyl)methylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 106133147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).