1-pyrrolidin-3-ylhex-5-en-3-one

C10H17NO — CID 116605872

IUPAC1-pyrrolidin-3-ylhex-5-en-3-one
SMILESC=CCC(=O)CCC1CCNC1
InChIInChI=1S/C10H17NO/c1-2-3-10(12)5-4-9-6-7-11-8-9/h2,9,11H,1,3-8H2
InChIKeyOXGOTQSLDHYEHB-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.52
Rot. Bonds5

About 1-pyrrolidin-3-ylhex-5-en-3-one

1-pyrrolidin-3-ylhex-5-en-3-one (PubChem CID 116605872) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-pyrrolidin-3-ylhex-5-en-3-one.

Molecular Properties

Compound Name1-pyrrolidin-3-ylhex-5-en-3-one
PubChem CID116605872
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-pyrrolidin-3-ylhex-5-en-3-one
SMILESC=CCC(=O)CCC1CCNC1
InChIInChI=1S/C10H17NO/c1-2-3-10(12)5-4-9-6-7-11-8-9/h2,9,11H,1,3-8H2
InChIKeyOXGOTQSLDHYEHB-UHFFFAOYSA-N
XLogP1.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-pyrrolidin-3-ylpent-4-en-2-one
CID 116583305
1-[(3S)-pyrrolidin-3-yl]pent-4-en-2-one
CID 146425669
1-pyrrolidin-3-ylhexan-3-one
CID 116605913
3-pyrrolidin-3-ylpropanoic acid
CID 12825648
3-[(3R)-pyrrolidin-3-yl]propanamide
CID 174976551
1-(oxan-4-yl)-4-pyrrolidin-3-ylbutan-2-one
CID 116606037
N-but-3-en-2-yl-3-pyrrolidin-3-ylpropanamide
CID 115774843
1-pyrrolidin-3-ylnon-8-en-2-one
CID 107010907
1-piperidin-4-yloxyhex-5-en-3-one
CID 116572160
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
1-propan-2-ylsulfonyl-5-pyrrolidin-3-ylpentan-3-one
CID 106736845
1-(4-hydroxyphenyl)-4-pyrrolidin-3-ylbutan-2-one
CID 116606055

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-3-ylhex-5-en-3-one?
The IUPAC name of 1-pyrrolidin-3-ylhex-5-en-3-one (CID 116605872) is 1-pyrrolidin-3-ylhex-5-en-3-one.
What is the SMILES notation for 1-pyrrolidin-3-ylhex-5-en-3-one?
The canonical SMILES for 1-pyrrolidin-3-ylhex-5-en-3-one is C=CCC(=O)CCC1CCNC1.
What is the InChIKey of 1-pyrrolidin-3-ylhex-5-en-3-one?
The InChIKey is OXGOTQSLDHYEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-3-10(12)5-4-9-6-7-11-8-9/h2,9,11H,1,3-8H2.
What are the key properties of 1-pyrrolidin-3-ylhex-5-en-3-one?
1-pyrrolidin-3-ylhex-5-en-3-one has a molecular weight of 167.25 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-3-ylhex-5-en-3-one is sourced from PubChem (CID 116605872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).