1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one

C15H26N2O2 — CID 53015946

IUPAC1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCC1C(=O)N1CCCCCC1
InChIInChI=1S/C15H26N2O2/c1-2-8-14(18)17-12-7-9-13(17)15(19)16-10-5-3-4-6-11-16/h13H,2-12H2,1H3
InChIKeyGXETXKMLXDHZBS-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.18
Rot. Bonds3

About 1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one

1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one (PubChem CID 53015946) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
PubChem CID53015946
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCC1C(=O)N1CCCCCC1
InChIInChI=1S/C15H26N2O2/c1-2-8-14(18)17-12-7-9-13(17)15(19)16-10-5-3-4-6-11-16/h13H,2-12H2,1H3
InChIKeyGXETXKMLXDHZBS-UHFFFAOYSA-N
XLogP2.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 94582616
1-[2-(1,1-dioxo-1,4-thiazepane-4-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 127304661
1-[2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119487872
2-[acetyl-[1-(1-butanoylpyrrolidine-2-carbonyl)azepan-4-yl]amino]acetic acid
CID 120606291
1-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 119516970
2-bromo-1-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 102537702
(2R)-1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 145005819
1-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119592957
3,3-dimethyl-1,5-bis[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pentane-1,5-dione
CID 10928641
(2S)-1-(1-butanoylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365358
1-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one
CID 119538669
(2S)-1-butanoylpyrrolidine-2-carboxamide;molecular hydrogen
CID 142833543

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one (CID 53015946) is 1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one is CCCC(=O)N1CCCC1C(=O)N1CCCCCC1.
What is the InChIKey of 1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is GXETXKMLXDHZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-8-14(18)17-12-7-9-13(17)15(19)16-10-5-3-4-6-11-16/h13H,2-12H2,1H3.
What are the key properties of 1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one?
1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 266.38 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 53015946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).