4-(azepane-1-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one

C14H24N2O3 — CID 53181900

IUPAC4-(azepane-1-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1CC(C(=O)N2CCCCCC2)CC1=O
InChIInChI=1S/C14H24N2O3/c1-19-9-8-16-11-12(10-13(16)17)14(18)15-6-4-2-3-5-7-15/h12H,2-11H2,1H3
InChIKeyFGDHEOPSAITMOZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.88
Rot. Bonds4

About 4-(azepane-1-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one

4-(azepane-1-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 53181900) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-(azepane-1-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azepane-1-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID53181900
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name4-(azepane-1-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1CC(C(=O)N2CCCCCC2)CC1=O
InChIInChI=1S/C14H24N2O3/c1-19-9-8-16-11-12(10-13(16)17)14(18)15-6-4-2-3-5-7-15/h12H,2-11H2,1H3
InChIKeyFGDHEOPSAITMOZ-UHFFFAOYSA-N
XLogP0.88
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-Fluoropiperidin-1-yl)carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 131914555
4-(Azepane-1-carbonyl)-1-tert-butylpyrrolidin-2-one
CID 6472884
N-(2-methoxyethyl)-N-methyl-1-propylpyrrolidine-3-carboxamide
CID 59535639
4-[[2-Methoxyethyl(methyl)amino]methyl]-1-methylpyrrolidin-2-one
CID 167168293
(4R)-4-(azepane-1-carbonyl)-1-tert-butylpyrrolidin-2-one
CID 8068549
(4S)-4-(azepane-1-carbonyl)-1-tert-butylpyrrolidin-2-one
CID 8068550
(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 9365023
(3S)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 9365024
(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 9365025
(3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 9365026
(4R)-4-(azepane-1-carbonyl)-1-[(2S)-1-methoxypropan-2-yl]pyrrolidin-2-one
CID 9365067
(4R)-4-(azepane-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one
CID 9365068

Frequently Asked Questions

What is the IUPAC name of 4-(azepane-1-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of 4-(azepane-1-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one (CID 53181900) is 4-(azepane-1-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(azepane-1-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(azepane-1-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one is COCCN1CC(C(=O)N2CCCCCC2)CC1=O.
What is the InChIKey of 4-(azepane-1-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is FGDHEOPSAITMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-19-9-8-16-11-12(10-13(16)17)14(18)15-6-4-2-3-5-7-15/h12H,2-11H2,1H3.
What are the key properties of 4-(azepane-1-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one?
4-(azepane-1-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 268.36 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepane-1-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 53181900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).