1-pyrrolidin-3-ylhexan-3-one

C10H19NO — CID 116605913

IUPAC1-pyrrolidin-3-ylhexan-3-one
SMILESCCCC(=O)CCC1CCNC1
InChIInChI=1S/C10H19NO/c1-2-3-10(12)5-4-9-6-7-11-8-9/h9,11H,2-8H2,1H3
InChIKeyZUHJNRJIYIIGLN-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.75
Rot. Bonds5

About 1-pyrrolidin-3-ylhexan-3-one

1-pyrrolidin-3-ylhexan-3-one (PubChem CID 116605913) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-pyrrolidin-3-ylhexan-3-one.

Molecular Properties

Compound Name1-pyrrolidin-3-ylhexan-3-one
PubChem CID116605913
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-pyrrolidin-3-ylhexan-3-one
SMILESCCCC(=O)CCC1CCNC1
InChIInChI=1S/C10H19NO/c1-2-3-10(12)5-4-9-6-7-11-8-9/h9,11H,2-8H2,1H3
InChIKeyZUHJNRJIYIIGLN-UHFFFAOYSA-N
XLogP1.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-pyrrolidin-3-ylpropanoic acid
CID 12825648
1-propan-2-ylsulfonyl-5-pyrrolidin-3-ylpentan-3-one
CID 106736845
1-pyrrolidin-3-ylhex-5-en-3-one
CID 116605872
3-[(3R)-pyrrolidin-3-yl]propanamide
CID 174976551
1-(oxan-4-yl)-4-pyrrolidin-3-ylbutan-2-one
CID 116606037
1-cyclohexylhexan-3-one
CID 10856142
pyrrolidin-3-ylmethyl butanoate
CID 143112520
1-(4-methoxyphenyl)-5-pyrrolidin-3-ylpentan-3-one
CID 116605893
(3S)-3-pentylpyrrolidine
CID 10261191
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
1-(oxan-4-yl)hexan-3-one
CID 62385519
1-(4-hydroxyphenyl)-4-pyrrolidin-3-ylbutan-2-one
CID 116606055

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-3-ylhexan-3-one?
The IUPAC name of 1-pyrrolidin-3-ylhexan-3-one (CID 116605913) is 1-pyrrolidin-3-ylhexan-3-one.
What is the SMILES notation for 1-pyrrolidin-3-ylhexan-3-one?
The canonical SMILES for 1-pyrrolidin-3-ylhexan-3-one is CCCC(=O)CCC1CCNC1.
What is the InChIKey of 1-pyrrolidin-3-ylhexan-3-one?
The InChIKey is ZUHJNRJIYIIGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-3-10(12)5-4-9-6-7-11-8-9/h9,11H,2-8H2,1H3.
What are the key properties of 1-pyrrolidin-3-ylhexan-3-one?
1-pyrrolidin-3-ylhexan-3-one has a molecular weight of 169.27 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-3-ylhexan-3-one is sourced from PubChem (CID 116605913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).