1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]azepan-2-one

C13H22N2O2 — CID 22945822

IUPAC1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]azepan-2-one
SMILESCC1CCCN1C(=O)CN1CCCCCC1=O
InChIInChI=1S/C13H22N2O2/c1-11-6-5-9-15(11)13(17)10-14-8-4-2-3-7-12(14)16/h11H,2-10H2,1H3
InChIKeyABTGJSZHASCNGC-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.40
Rot. Bonds2

About 1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]azepan-2-one

1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]azepan-2-one (PubChem CID 22945822) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]azepan-2-one.

Molecular Properties

Compound Name1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]azepan-2-one
PubChem CID22945822
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]azepan-2-one
SMILESCC1CCCN1C(=O)CN1CCCCCC1=O
InChIInChI=1S/C13H22N2O2/c1-11-6-5-9-15(11)13(17)10-14-8-4-2-3-7-12(14)16/h11H,2-10H2,1H3
InChIKeyABTGJSZHASCNGC-UHFFFAOYSA-N
XLogP1.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 11615534
3,8-Diazabicyclo(3.2.1)octane, 3,8-dipropionyl-
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(2S)-N,N-dihexyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 11405014
N-(2-oxoazepan-3-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 44285091
N-[(3R)-1-(2-amino-2-oxoethyl)-2-oxoazepan-3-yl]pyrrolidine-2-carboxamide
CID 44321595
1-[2-(diethylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 53521612
1-[2-(dipropylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 53521650
1-[1-Oxo-1-(4-propyl-1,4-diazepan-1-yl)butan-2-yl]pyrrolidin-2-one
CID 56795460
1-[2-Oxo-2-(pyrrolidin-1-yl)ethyl]azepan-2-one
CID 22945841
1-[2-(1-Azepanylcarbonyl)-1-pyrrolidinyl]-1-butanone
CID 53015946
1-[2-(2-Methylpiperidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 53204620
2-[(2S)-2-(azepane-1-carbonyl)pyrrolidin-1-yl]-N,2-dimethylpropanamide
CID 75411479

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]azepan-2-one?
The IUPAC name of 1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]azepan-2-one (CID 22945822) is 1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]azepan-2-one.
What is the SMILES notation for 1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]azepan-2-one?
The canonical SMILES for 1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]azepan-2-one is CC1CCCN1C(=O)CN1CCCCCC1=O.
What is the InChIKey of 1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]azepan-2-one?
The InChIKey is ABTGJSZHASCNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-11-6-5-9-15(11)13(17)10-14-8-4-2-3-7-12(14)16/h11H,2-10H2,1H3.
What are the key properties of 1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]azepan-2-one?
1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]azepan-2-one has a molecular weight of 238.33 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]azepan-2-one is sourced from PubChem (CID 22945822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).