1-pyrrolidin-3-ylnon-8-en-2-one

C13H23NO — CID 107010907

IUPAC1-pyrrolidin-3-ylnon-8-en-2-one
SMILESC=CCCCCCC(=O)CC1CCNC1
InChIInChI=1S/C13H23NO/c1-2-3-4-5-6-7-13(15)10-12-8-9-14-11-12/h2,12,14H,1,3-11H2
InChIKeySORCTVWGNWPWKY-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.69
Rot. Bonds8

About 1-pyrrolidin-3-ylnon-8-en-2-one

1-pyrrolidin-3-ylnon-8-en-2-one (PubChem CID 107010907) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-pyrrolidin-3-ylnon-8-en-2-one.

Molecular Properties

Compound Name1-pyrrolidin-3-ylnon-8-en-2-one
PubChem CID107010907
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-pyrrolidin-3-ylnon-8-en-2-one
SMILESC=CCCCCCC(=O)CC1CCNC1
InChIInChI=1S/C13H23NO/c1-2-3-4-5-6-7-13(15)10-12-8-9-14-11-12/h2,12,14H,1,3-11H2
InChIKeySORCTVWGNWPWKY-UHFFFAOYSA-N
XLogP2.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.69
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-pyrrolidin-3-ylnon-8-en-2-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

3-hept-6-enylpyrrolidine
CID 107010775
1-pyrrolidin-3-ylpent-4-en-2-one
CID 116583305
1-[(3S)-pyrrolidin-3-yl]pent-4-en-2-one
CID 146425669
1-piperidin-3-yloct-7-en-1-one
CID 107010785
tricosa-1,22-dien-12-one
CID 86210796
1-piperidin-4-ylundecan-2-one
CID 116559812
5-ethylsulfonyl-1-pyrrolidin-3-ylpentan-2-one
CID 116583438
1-pyrrolidin-3-ylhex-5-en-3-one
CID 116605872
1-piperidin-4-yloxyoct-7-en-3-one
CID 116572312
1-piperidin-4-ylhexan-2-one
CID 116559845
6,6,6-trifluoro-1-piperidin-4-ylhexan-2-one
CID 116559967
4-(hept-6-enoxymethyl)piperidine
CID 107007705

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-3-ylnon-8-en-2-one?
The IUPAC name of 1-pyrrolidin-3-ylnon-8-en-2-one (CID 107010907) is 1-pyrrolidin-3-ylnon-8-en-2-one.
What is the SMILES notation for 1-pyrrolidin-3-ylnon-8-en-2-one?
The canonical SMILES for 1-pyrrolidin-3-ylnon-8-en-2-one is C=CCCCCCC(=O)CC1CCNC1.
What is the InChIKey of 1-pyrrolidin-3-ylnon-8-en-2-one?
The InChIKey is SORCTVWGNWPWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-3-4-5-6-7-13(15)10-12-8-9-14-11-12/h2,12,14H,1,3-11H2.
What are the key properties of 1-pyrrolidin-3-ylnon-8-en-2-one?
1-pyrrolidin-3-ylnon-8-en-2-one has a molecular weight of 209.33 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-3-ylnon-8-en-2-one is sourced from PubChem (CID 107010907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).