4-(1,4-dioxepan-6-ylamino)pyrrolidin-2-one

C9H16N2O3 — CID 130559574

IUPAC4-(1,4-dioxepan-6-ylamino)pyrrolidin-2-one
SMILESO=C1CC(NC2COCCOC2)CN1
InChIInChI=1S/C9H16N2O3/c12-9-3-7(4-10-9)11-8-5-13-1-2-14-6-8/h7-8,11H,1-6H2,(H,10,12)
InChIKeyAJTOITJLJWEJKG-UHFFFAOYSA-N
MW200.24 g/mol
LogP-1.12
Rot. Bonds2

About 4-(1,4-dioxepan-6-ylamino)pyrrolidin-2-one

4-(1,4-dioxepan-6-ylamino)pyrrolidin-2-one (PubChem CID 130559574) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-(1,4-dioxepan-6-ylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1,4-dioxepan-6-ylamino)pyrrolidin-2-one
PubChem CID130559574
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name4-(1,4-dioxepan-6-ylamino)pyrrolidin-2-one
SMILESO=C1CC(NC2COCCOC2)CN1
InChIInChI=1S/C9H16N2O3/c12-9-3-7(4-10-9)11-8-5-13-1-2-14-6-8/h7-8,11H,1-6H2,(H,10,12)
InChIKeyAJTOITJLJWEJKG-UHFFFAOYSA-N
XLogP-1.12
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(1,4-dioxepan-6-ylamino)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(oxetan-3-ylamino)piperidin-2-one
CID 63661229
4-(piperidin-4-ylamino)pyrrolidin-2-one
CID 106184253
4-(oxan-3-ylamino)azepan-2-one
CID 63888881
4-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one
CID 114155940
4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrrolidin-2-one
CID 106183674
4-[[3-(4-fluorophenyl)cyclobutyl]amino]pyrrolidin-2-one
CID 106181804
4-[[3-(4-bromophenyl)cyclobutyl]amino]pyrrolidin-2-one
CID 114155204
4-[(2,4,4-trimethylcyclopentyl)amino]pyrrolidin-2-one
CID 106184016
4-[(2-methylthiolan-3-yl)amino]pyrrolidin-2-one
CID 106182616
4-[(4-propylcycloheptyl)amino]pyrrolidin-2-one
CID 114155313
(4R)-4-(2-methylpropylamino)pyrrolidin-2-one
CID 139457725
5-(cycloheptylamino)piperidin-2-one
CID 63379089

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxepan-6-ylamino)pyrrolidin-2-one?
The IUPAC name of 4-(1,4-dioxepan-6-ylamino)pyrrolidin-2-one (CID 130559574) is 4-(1,4-dioxepan-6-ylamino)pyrrolidin-2-one.
What is the SMILES notation for 4-(1,4-dioxepan-6-ylamino)pyrrolidin-2-one?
The canonical SMILES for 4-(1,4-dioxepan-6-ylamino)pyrrolidin-2-one is O=C1CC(NC2COCCOC2)CN1.
What is the InChIKey of 4-(1,4-dioxepan-6-ylamino)pyrrolidin-2-one?
The InChIKey is AJTOITJLJWEJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c12-9-3-7(4-10-9)11-8-5-13-1-2-14-6-8/h7-8,11H,1-6H2,(H,10,12).
What are the key properties of 4-(1,4-dioxepan-6-ylamino)pyrrolidin-2-one?
4-(1,4-dioxepan-6-ylamino)pyrrolidin-2-one has a molecular weight of 200.24 g/mol, XLogP of -1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxepan-6-ylamino)pyrrolidin-2-one is sourced from PubChem (CID 130559574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).