3-[2-(azepan-1-yl)-2-oxoethyl]-1-cyclopropylimidazolidine-2,4-dione

C14H21N3O3 — CID 87022365

IUPAC3-[2-(azepan-1-yl)-2-oxoethyl]-1-cyclopropylimidazolidine-2,4-dione
SMILESO=C(CN1C(=O)CN(C2CC2)C1=O)N1CCCCCC1
InChIInChI=1S/C14H21N3O3/c18-12(15-7-3-1-2-4-8-15)9-17-13(19)10-16(14(17)20)11-5-6-11/h11H,1-10H2
InChIKeyXTUUQUNXCUQDAM-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.82
Rot. Bonds3

About 3-[2-(azepan-1-yl)-2-oxoethyl]-1-cyclopropylimidazolidine-2,4-dione

3-[2-(azepan-1-yl)-2-oxoethyl]-1-cyclopropylimidazolidine-2,4-dione (PubChem CID 87022365) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[2-(azepan-1-yl)-2-oxoethyl]-1-cyclopropylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(azepan-1-yl)-2-oxoethyl]-1-cyclopropylimidazolidine-2,4-dione
PubChem CID87022365
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-[2-(azepan-1-yl)-2-oxoethyl]-1-cyclopropylimidazolidine-2,4-dione
SMILESO=C(CN1C(=O)CN(C2CC2)C1=O)N1CCCCCC1
InChIInChI=1S/C14H21N3O3/c18-12(15-7-3-1-2-4-8-15)9-17-13(19)10-16(14(17)20)11-5-6-11/h11H,1-10H2
InChIKeyXTUUQUNXCUQDAM-UHFFFAOYSA-N
XLogP0.82
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.82
H-Bond Donors ≤ 50
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-[2-(azepan-1-yl)-2-oxoethyl]-1-cyclopropylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(azepan-1-yl)-2-oxoethyl]-1-cyclopropylimidazolidine-2,4-dione (CID 87022365) is 3-[2-(azepan-1-yl)-2-oxoethyl]-1-cyclopropylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(azepan-1-yl)-2-oxoethyl]-1-cyclopropylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(azepan-1-yl)-2-oxoethyl]-1-cyclopropylimidazolidine-2,4-dione is O=C(CN1C(=O)CN(C2CC2)C1=O)N1CCCCCC1.
What is the InChIKey of 3-[2-(azepan-1-yl)-2-oxoethyl]-1-cyclopropylimidazolidine-2,4-dione?
The InChIKey is XTUUQUNXCUQDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c18-12(15-7-3-1-2-4-8-15)9-17-13(19)10-16(14(17)20)11-5-6-11/h11H,1-10H2.
What are the key properties of 3-[2-(azepan-1-yl)-2-oxoethyl]-1-cyclopropylimidazolidine-2,4-dione?
3-[2-(azepan-1-yl)-2-oxoethyl]-1-cyclopropylimidazolidine-2,4-dione has a molecular weight of 279.34 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(azepan-1-yl)-2-oxoethyl]-1-cyclopropylimidazolidine-2,4-dione is sourced from PubChem (CID 87022365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).