1-[(3R)-pyrrolidin-3-yl]hex-5-en-1-one

C10H17NO — CID 141320383

IUPAC1-[(3R)-pyrrolidin-3-yl]hex-5-en-1-one
SMILESC=CCCCC(=O)[C@@H]1CCNC1
InChIInChI=1S/C10H17NO/c1-2-3-4-5-10(12)9-6-7-11-8-9/h2,9,11H,1,3-8H2/t9-/m1/s1
InChIKeyXCIXTXPRHHIHJK-SECBINFHSA-N
MW167.25 g/mol
LogP1.52
Rot. Bonds5

About 1-[(3R)-pyrrolidin-3-yl]hex-5-en-1-one

1-[(3R)-pyrrolidin-3-yl]hex-5-en-1-one (PubChem CID 141320383) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-[(3R)-pyrrolidin-3-yl]hex-5-en-1-one.

Molecular Properties

Compound Name1-[(3R)-pyrrolidin-3-yl]hex-5-en-1-one
PubChem CID141320383
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-[(3R)-pyrrolidin-3-yl]hex-5-en-1-one
SMILESC=CCCCC(=O)[C@@H]1CCNC1
InChIInChI=1S/C10H17NO/c1-2-3-4-5-10(12)9-6-7-11-8-9/h2,9,11H,1,3-8H2/t9-/m1/s1
InChIKeyXCIXTXPRHHIHJK-SECBINFHSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[(3R)-pyrrolidin-3-yl]hex-5-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(Trifluoromethyl)pyrrolidin-3-yl]oct-7-en-1-one
CID 107010873
1-[3-(Trifluoromethyl)pyrrolidin-3-yl]hex-5-en-1-one
CID 116572887
1-[(2S,5S)-5-methyl-4-prop-2-enylpyrrolidin-2-yl]propan-1-one
CID 67561715
1-(Azepan-4-yl)hex-5-en-1-one
CID 67914867
1-(Azepan-4-yl)pent-4-en-1-one
CID 67914901
1-(Azepan-4-yl)hept-6-en-1-one
CID 67914909
1-(Pyrrolidin-3-yl)pent-4-en-1-one
CID 68234182
1-(Pyrrolidin-3-yl)pent-4-en-2-one
CID 116583305
2-amino-1-[(3S,4S)-2,2-dimethyl-4-prop-2-enylpyrrolidin-3-yl]ethanone
CID 141270619
1-[(3S)-pyrrolidin-3-yl]pent-4-en-2-one
CID 146425669
3-Cyclopropyl-1-(3-methylpyrrolidin-3-yl)hex-5-en-2-one
CID 153378292
7-Prop-2-enyl-2-azaspiro[4.4]nonan-8-one
CID 153378438

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-pyrrolidin-3-yl]hex-5-en-1-one?
The IUPAC name of 1-[(3R)-pyrrolidin-3-yl]hex-5-en-1-one (CID 141320383) is 1-[(3R)-pyrrolidin-3-yl]hex-5-en-1-one.
What is the SMILES notation for 1-[(3R)-pyrrolidin-3-yl]hex-5-en-1-one?
The canonical SMILES for 1-[(3R)-pyrrolidin-3-yl]hex-5-en-1-one is C=CCCCC(=O)[C@@H]1CCNC1.
What is the InChIKey of 1-[(3R)-pyrrolidin-3-yl]hex-5-en-1-one?
The InChIKey is XCIXTXPRHHIHJK-SECBINFHSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-3-4-5-10(12)9-6-7-11-8-9/h2,9,11H,1,3-8H2/t9-/m1/s1.
What are the key properties of 1-[(3R)-pyrrolidin-3-yl]hex-5-en-1-one?
1-[(3R)-pyrrolidin-3-yl]hex-5-en-1-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-[(3R)-pyrrolidin-3-yl]hex-5-en-1-one is sourced from PubChem (CID 141320383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).