1-pyrrolidin-1-ylicos-2-en-1-one

C24H45NO — CID 163192796

IUPAC1-pyrrolidin-1-ylicos-2-en-1-one
SMILESCCCCCCCCCCCCCCCCCC=CC(=O)N1CCCC1
InChIInChI=1S/C24H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(26)25-22-19-20-23-25/h18,21H,2-17,19-20,22-23H2,1H3
InChIKeyMWIKJHCNCBGKKP-UHFFFAOYSA-N
MW363.63 g/mol
LogP7.43
Rot. Bonds17

About 1-pyrrolidin-1-ylicos-2-en-1-one

1-pyrrolidin-1-ylicos-2-en-1-one (PubChem CID 163192796) has the molecular formula C24H45NO and a molecular weight of 363.63 g/mol. Its IUPAC name is 1-pyrrolidin-1-ylicos-2-en-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-ylicos-2-en-1-one
PubChem CID163192796
Molecular FormulaC24H45NO
Molecular Weight363.63 g/mol
Exact Mass363.35
IUPAC Name1-pyrrolidin-1-ylicos-2-en-1-one
SMILESCCCCCCCCCCCCCCCCCC=CC(=O)N1CCCC1
InChIInChI=1S/C24H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(26)25-22-19-20-23-25/h18,21H,2-17,19-20,22-23H2,1H3
InChIKeyMWIKJHCNCBGKKP-UHFFFAOYSA-N
XLogP7.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.63
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-pyrrolidin-1-ylicos-2-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

Sarmentine
CID 6440616
(2E,4E)-1-(Pyrrolidin-1-yl)dodeca-2,4-dien-1-one
CID 10999431
N-Arachidonylmaleimide
CID 25021164
Pipercitine
CID 12575258
(2E,4E)-1-(Piperidin-1-yl)tetradeca-2,4-dien-1-one
CID 11130083
1-[(E)-2-Hexadecenoyl]piperidine
CID 53253850
2-Decen-1-one, 1-(1-piperidinyl)-, (2E)-
CID 10966538
(2E,4Z-Decadienoyl)pyrrolidine
CID 46935132
Pipereicosalidine
CID 101634668
N-Oleylmaleimide
CID 45483976
(2E,4E)-1-(Pyrrolidin-1-yl)tetradeca-2,4-dien-1-one
CID 10923868
1-[(E)-2-Tetradecenoyl]piperidine
CID 91715829

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-ylicos-2-en-1-one?
The IUPAC name of 1-pyrrolidin-1-ylicos-2-en-1-one (CID 163192796) is 1-pyrrolidin-1-ylicos-2-en-1-one.
What is the SMILES notation for 1-pyrrolidin-1-ylicos-2-en-1-one?
The canonical SMILES for 1-pyrrolidin-1-ylicos-2-en-1-one is CCCCCCCCCCCCCCCCCC=CC(=O)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-ylicos-2-en-1-one?
The InChIKey is MWIKJHCNCBGKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(26)25-22-19-20-23-25/h18,21H,2-17,19-20,22-23H2,1H3.
What are the key properties of 1-pyrrolidin-1-ylicos-2-en-1-one?
1-pyrrolidin-1-ylicos-2-en-1-one has a molecular weight of 363.63 g/mol, XLogP of 7.43, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-ylicos-2-en-1-one is sourced from PubChem (CID 163192796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).