2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one

C14H26N2O — CID 62274755

IUPAC2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one
SMILESCCC(CC)C(=O)N1CCCC1C1CCCN1
InChIInChI=1S/C14H26N2O/c1-3-11(4-2)14(17)16-10-6-8-13(16)12-7-5-9-15-12/h11-13,15H,3-10H2,1-2H3
InChIKeyBNUBTUKXCWZJOM-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.17
Rot. Bonds4

About 2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one

2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one (PubChem CID 62274755) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one
PubChem CID62274755
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one
SMILESCCC(CC)C(=O)N1CCCC1C1CCCN1
InChIInChI=1S/C14H26N2O/c1-3-11(4-2)14(17)16-10-6-8-13(16)12-7-5-9-15-12/h11-13,15H,3-10H2,1-2H3
InChIKeyBNUBTUKXCWZJOM-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 62274579
2-methyl-1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one
CID 63256243
ethyl 2-pyrrolidin-2-ylpyrrolidine-1-carboxylate
CID 62273377
bis(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)methanone
CID 175339553
N,N-dimethyl-2-pyrrolidin-2-ylpyrrolidine-1-carboxamide
CID 79154748
3-methyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one
CID 62275584
1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one
CID 63256717
2-ethyl-1-(2-piperidin-4-ylazepan-1-yl)butan-1-one
CID 64611265
2,2-dimethyl-1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one
CID 55168953
2-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one
CID 62275068
2-ethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 110728155
1-(2-pyrrolidin-2-ylpiperidin-1-yl)but-2-en-1-one
CID 76991018

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one?
The IUPAC name of 2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one (CID 62274755) is 2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one.
What is the SMILES notation for 2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one?
The canonical SMILES for 2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one is CCC(CC)C(=O)N1CCCC1C1CCCN1.
What is the InChIKey of 2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one?
The InChIKey is BNUBTUKXCWZJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-11(4-2)14(17)16-10-6-8-13(16)12-7-5-9-15-12/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one?
2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one has a molecular weight of 238.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one is sourced from PubChem (CID 62274755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).