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

C13H25NO — CID 116608171

IUPAC1-(2-ethylpyrrolidin-2-yl)-3-methylhexan-1-one
SMILESCCCC(C)CC(=O)C1(CC)CCCN1
InChIInChI=1S/C13H25NO/c1-4-7-11(3)10-12(15)13(5-2)8-6-9-14-13/h11,14H,4-10H2,1-3H3
InChIKeyFTRIFTNMXAMGKQ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.91
Rot. Bonds6

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

1-(2-ethylpyrrolidin-2-yl)-3-methylhexan-1-one (PubChem CID 116608171) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(2-ethylpyrrolidin-2-yl)-3-methylhexan-1-one.

Molecular Properties

Compound Name1-(2-ethylpyrrolidin-2-yl)-3-methylhexan-1-one
PubChem CID116608171
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(2-ethylpyrrolidin-2-yl)-3-methylhexan-1-one
SMILESCCCC(C)CC(=O)C1(CC)CCCN1
InChIInChI=1S/C13H25NO/c1-4-7-11(3)10-12(15)13(5-2)8-6-9-14-13/h11,14H,4-10H2,1-3H3
InChIKeyFTRIFTNMXAMGKQ-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylpyrrolidin-2-yl)-3-methylpentan-1-one
CID 116608093
1-(2-ethylpyrrolidin-2-yl)-3-propan-2-ylsulfonylpropan-1-one
CID 106736872
2-ethyl-2-(2-methylpentyl)pyrrolidine
CID 66466921
3-methyl-1-(3-propylpiperidin-3-yl)hexan-1-one
CID 116569712
2-ethyl-N-methyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 83080860
1-(2-ethylpyrrolidin-2-yl)-3-propylsulfonylpropan-1-one
CID 106736874
3-cyclopropyl-1-(2-ethylpyrrolidin-2-yl)propan-1-one
CID 116608261
3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid
CID 83071374
2-ethyl-N-methyl-N-(2-methylbutyl)pyrrolidine-2-carboxamide
CID 83079995
5-methyl-1-(2-propylpyrrolidin-2-yl)hexan-1-one
CID 106976672
2-ethyl-N-pentyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 83071421
2-ethyl-N-(4-methoxybutan-2-yl)pyrrolidine-2-carboxamide
CID 83071390

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrrolidin-2-yl)-3-methylhexan-1-one?
The IUPAC name of 1-(2-ethylpyrrolidin-2-yl)-3-methylhexan-1-one (CID 116608171) is 1-(2-ethylpyrrolidin-2-yl)-3-methylhexan-1-one.
What is the SMILES notation for 1-(2-ethylpyrrolidin-2-yl)-3-methylhexan-1-one?
The canonical SMILES for 1-(2-ethylpyrrolidin-2-yl)-3-methylhexan-1-one is CCCC(C)CC(=O)C1(CC)CCCN1.
What is the InChIKey of 1-(2-ethylpyrrolidin-2-yl)-3-methylhexan-1-one?
The InChIKey is FTRIFTNMXAMGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-7-11(3)10-12(15)13(5-2)8-6-9-14-13/h11,14H,4-10H2,1-3H3.
What are the key properties of 1-(2-ethylpyrrolidin-2-yl)-3-methylhexan-1-one?
1-(2-ethylpyrrolidin-2-yl)-3-methylhexan-1-one has a molecular weight of 211.35 g/mol, XLogP of 2.91, 6 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-methylhexan-1-one is sourced from PubChem (CID 116608171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).