1-cyclohexyl-3-(cyclopropylmethylamino)pyrrolidine-2,5-dione

C14H22N2O2 — CID 43637329

IUPAC1-cyclohexyl-3-(cyclopropylmethylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCC2CC2)C(=O)N1C1CCCCC1
InChIInChI=1S/C14H22N2O2/c17-13-8-12(15-9-10-6-7-10)14(18)16(13)11-4-2-1-3-5-11/h10-12,15H,1-9H2
InChIKeyNHCGLYGHCZZBLA-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.45
Rot. Bonds4

About 1-cyclohexyl-3-(cyclopropylmethylamino)pyrrolidine-2,5-dione

1-cyclohexyl-3-(cyclopropylmethylamino)pyrrolidine-2,5-dione (PubChem CID 43637329) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-cyclohexyl-3-(cyclopropylmethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclohexyl-3-(cyclopropylmethylamino)pyrrolidine-2,5-dione
PubChem CID43637329
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-cyclohexyl-3-(cyclopropylmethylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCC2CC2)C(=O)N1C1CCCCC1
InChIInChI=1S/C14H22N2O2/c17-13-8-12(15-9-10-6-7-10)14(18)16(13)11-4-2-1-3-5-11/h10-12,15H,1-9H2
InChIKeyNHCGLYGHCZZBLA-UHFFFAOYSA-N
XLogP1.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(cyclopropylmethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclohexyl-3-(cyclopropylmethylamino)pyrrolidine-2,5-dione (CID 43637329) is 1-cyclohexyl-3-(cyclopropylmethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclohexyl-3-(cyclopropylmethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclohexyl-3-(cyclopropylmethylamino)pyrrolidine-2,5-dione is O=C1CC(NCC2CC2)C(=O)N1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(cyclopropylmethylamino)pyrrolidine-2,5-dione?
The InChIKey is NHCGLYGHCZZBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c17-13-8-12(15-9-10-6-7-10)14(18)16(13)11-4-2-1-3-5-11/h10-12,15H,1-9H2.
What are the key properties of 1-cyclohexyl-3-(cyclopropylmethylamino)pyrrolidine-2,5-dione?
1-cyclohexyl-3-(cyclopropylmethylamino)pyrrolidine-2,5-dione has a molecular weight of 250.34 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(cyclopropylmethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43637329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).