3-ethyl-5-methyl-1-pyrrolidin-1-ylhexan-1-one

C13H25NO — CID 178004280

IUPAC3-ethyl-5-methyl-1-pyrrolidin-1-ylhexan-1-one
SMILESCCC(CC(=O)N1CCCC1)CC(C)C
InChIInChI=1S/C13H25NO/c1-4-12(9-11(2)3)10-13(15)14-7-5-6-8-14/h11-12H,4-10H2,1-3H3
InChIKeyVIYYAKIIEROHTM-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.07
Rot. Bonds5

About 3-ethyl-5-methyl-1-pyrrolidin-1-ylhexan-1-one

3-ethyl-5-methyl-1-pyrrolidin-1-ylhexan-1-one (PubChem CID 178004280) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-ethyl-5-methyl-1-pyrrolidin-1-ylhexan-1-one.

Molecular Properties

Compound Name3-ethyl-5-methyl-1-pyrrolidin-1-ylhexan-1-one
PubChem CID178004280
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-ethyl-5-methyl-1-pyrrolidin-1-ylhexan-1-one
SMILESCCC(CC(=O)N1CCCC1)CC(C)C
InChIInChI=1S/C13H25NO/c1-4-12(9-11(2)3)10-13(15)14-7-5-6-8-14/h11-12H,4-10H2,1-3H3
InChIKeyVIYYAKIIEROHTM-UHFFFAOYSA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one
CID 81070854
(3R)-3-methyl-1-piperidin-1-ylpentan-1-one
CID 174011715
(2R)-2-[2-(azocan-1-yl)-2-oxoethyl]-4-methylpentanoic acid
CID 54139015
3-(butan-2-ylamino)-1-pyrrolidin-1-ylbutan-1-one
CID 170295509
(3R)-3-amino-1-piperidin-1-ylbutan-1-one
CID 59102647
2-(4-methylpentan-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 43372218
4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 81070855
1-[4-(1-aminoethyl)piperidin-1-yl]-3-ethylpentan-1-one;hydrochloride
CID 119518372
2-(2-ethylbutylamino)-1-piperidin-1-ylethanone
CID 115756524
3-(aminomethyl)-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one
CID 81087569
2-(butan-2-ylamino)-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 66431515
(3R)-3-methoxy-1-piperidin-1-ylbutan-1-one
CID 165388208

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-1-pyrrolidin-1-ylhexan-1-one?
The IUPAC name of 3-ethyl-5-methyl-1-pyrrolidin-1-ylhexan-1-one (CID 178004280) is 3-ethyl-5-methyl-1-pyrrolidin-1-ylhexan-1-one.
What is the SMILES notation for 3-ethyl-5-methyl-1-pyrrolidin-1-ylhexan-1-one?
The canonical SMILES for 3-ethyl-5-methyl-1-pyrrolidin-1-ylhexan-1-one is CCC(CC(=O)N1CCCC1)CC(C)C.
What is the InChIKey of 3-ethyl-5-methyl-1-pyrrolidin-1-ylhexan-1-one?
The InChIKey is VIYYAKIIEROHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-12(9-11(2)3)10-13(15)14-7-5-6-8-14/h11-12H,4-10H2,1-3H3.
What are the key properties of 3-ethyl-5-methyl-1-pyrrolidin-1-ylhexan-1-one?
3-ethyl-5-methyl-1-pyrrolidin-1-ylhexan-1-one has a molecular weight of 211.35 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-1-pyrrolidin-1-ylhexan-1-one is sourced from PubChem (CID 178004280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).