3-[1-(cyclohexylmethyl)pyrrolidin-3-yl]imidazolidine-2,4-dione

C14H23N3O2 — CID 121184004

IUPAC3-[1-(cyclohexylmethyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1C1CCN(CC2CCCCC2)C1
InChIInChI=1S/C14H23N3O2/c18-13-8-15-14(19)17(13)12-6-7-16(10-12)9-11-4-2-1-3-5-11/h11-12H,1-10H2,(H,15,19)
InChIKeyMFWCGLKQCQENFA-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.19
Rot. Bonds3

About 3-[1-(cyclohexylmethyl)pyrrolidin-3-yl]imidazolidine-2,4-dione

3-[1-(cyclohexylmethyl)pyrrolidin-3-yl]imidazolidine-2,4-dione (PubChem CID 121184004) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[1-(cyclohexylmethyl)pyrrolidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(cyclohexylmethyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
PubChem CID121184004
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-[1-(cyclohexylmethyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1C1CCN(CC2CCCCC2)C1
InChIInChI=1S/C14H23N3O2/c18-13-8-15-14(19)17(13)12-6-7-16(10-12)9-11-4-2-1-3-5-11/h11-12H,1-10H2,(H,15,19)
InChIKeyMFWCGLKQCQENFA-UHFFFAOYSA-N
XLogP1.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclohexylmethyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(cyclohexylmethyl)pyrrolidin-3-yl]imidazolidine-2,4-dione (CID 121184004) is 3-[1-(cyclohexylmethyl)pyrrolidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(cyclohexylmethyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(cyclohexylmethyl)pyrrolidin-3-yl]imidazolidine-2,4-dione is O=C1CNC(=O)N1C1CCN(CC2CCCCC2)C1.
What is the InChIKey of 3-[1-(cyclohexylmethyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is MFWCGLKQCQENFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c18-13-8-15-14(19)17(13)12-6-7-16(10-12)9-11-4-2-1-3-5-11/h11-12H,1-10H2,(H,15,19).
What are the key properties of 3-[1-(cyclohexylmethyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?
3-[1-(cyclohexylmethyl)pyrrolidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 265.36 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclohexylmethyl)pyrrolidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121184004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).