1-(2-ethylpyrrolidin-2-yl)-3-methylpentan-1-one

C12H23NO — CID 116608093

IUPAC1-(2-ethylpyrrolidin-2-yl)-3-methylpentan-1-one
SMILESCCC(C)CC(=O)C1(CC)CCCN1
InChIInChI=1S/C12H23NO/c1-4-10(3)9-11(14)12(5-2)7-6-8-13-12/h10,13H,4-9H2,1-3H3
InChIKeyZRQAPFZUPQDSSX-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.52
Rot. Bonds5

About 1-(2-ethylpyrrolidin-2-yl)-3-methylpentan-1-one

1-(2-ethylpyrrolidin-2-yl)-3-methylpentan-1-one (PubChem CID 116608093) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(2-ethylpyrrolidin-2-yl)-3-methylpentan-1-one.

Molecular Properties

Compound Name1-(2-ethylpyrrolidin-2-yl)-3-methylpentan-1-one
PubChem CID116608093
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(2-ethylpyrrolidin-2-yl)-3-methylpentan-1-one
SMILESCCC(C)CC(=O)C1(CC)CCCN1
InChIInChI=1S/C12H23NO/c1-4-10(3)9-11(14)12(5-2)7-6-8-13-12/h10,13H,4-9H2,1-3H3
InChIKeyZRQAPFZUPQDSSX-UHFFFAOYSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylpyrrolidin-2-yl)-3-methylhexan-1-one
CID 116608171
2-ethyl-N-methyl-N-(2-methylbutyl)pyrrolidine-2-carboxamide
CID 83079995
1-(2-ethylpyrrolidin-2-yl)-3-propan-2-ylsulfonylpropan-1-one
CID 106736872
2-ethyl-N-methyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 83080860
3-cyclopropyl-1-(2-ethylpyrrolidin-2-yl)propan-1-one
CID 116608261
3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid
CID 83071374
1-(2-ethylpyrrolidin-2-yl)prop-2-en-1-one
CID 116608144
cyclopropyl-(2-ethylpyrrolidin-2-yl)methanone
CID 116608291
1-(2-ethylpyrrolidin-2-yl)-3-propylsulfonylpropan-1-one
CID 106736874
2-ethyl-N-propan-2-ylsulfonylpyrrolidine-2-carboxamide
CID 103308078
N-(2,3-dihydroxypropyl)-2-ethylpyrrolidine-2-carboxamide
CID 83072487
N-(2-amino-2-oxoethyl)-2-ethyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 83079558

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrrolidin-2-yl)-3-methylpentan-1-one?
The IUPAC name of 1-(2-ethylpyrrolidin-2-yl)-3-methylpentan-1-one (CID 116608093) is 1-(2-ethylpyrrolidin-2-yl)-3-methylpentan-1-one.
What is the SMILES notation for 1-(2-ethylpyrrolidin-2-yl)-3-methylpentan-1-one?
The canonical SMILES for 1-(2-ethylpyrrolidin-2-yl)-3-methylpentan-1-one is CCC(C)CC(=O)C1(CC)CCCN1.
What is the InChIKey of 1-(2-ethylpyrrolidin-2-yl)-3-methylpentan-1-one?
The InChIKey is ZRQAPFZUPQDSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-10(3)9-11(14)12(5-2)7-6-8-13-12/h10,13H,4-9H2,1-3H3.
What are the key properties of 1-(2-ethylpyrrolidin-2-yl)-3-methylpentan-1-one?
1-(2-ethylpyrrolidin-2-yl)-3-methylpentan-1-one has a molecular weight of 197.32 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrrolidin-2-yl)-3-methylpentan-1-one is sourced from PubChem (CID 116608093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).