[(2S)-1-[(2R)-2-hydroxyhex-5-enyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone

C15H26N2O3 — CID 124855993

IUPAC[(2S)-1-[(2R)-2-hydroxyhex-5-enyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESC=CCC[C@@H](O)CN1CCC[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C15H26N2O3/c1-2-3-5-13(18)12-17-7-4-6-14(17)15(19)16-8-10-20-11-9-16/h2,13-14,18H,1,3-12H2/t13-,14+/m1/s1
InChIKeyDNHFBLBUBIXQQS-KGLIPLIRSA-N
MW282.38 g/mol
LogP0.64
Rot. Bonds6

About [(2S)-1-[(2R)-2-hydroxyhex-5-enyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2S)-1-[(2R)-2-hydroxyhex-5-enyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 124855993) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is [(2S)-1-[(2R)-2-hydroxyhex-5-enyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S)-1-[(2R)-2-hydroxyhex-5-enyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID124855993
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name[(2S)-1-[(2R)-2-hydroxyhex-5-enyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESC=CCC[C@@H](O)CN1CCC[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C15H26N2O3/c1-2-3-5-13(18)12-17-7-4-6-14(17)15(19)16-8-10-20-11-9-16/h2,13-14,18H,1,3-12H2/t13-,14+/m1/s1
InChIKeyDNHFBLBUBIXQQS-KGLIPLIRSA-N
XLogP0.64
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2S)-1-[(2R)-2-hydroxyhex-5-enyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone 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

morpholin-4-yl-[(2S)-1-[[(2R)-oxiran-2-yl]methyl]pyrrolidin-2-yl]methanone
CID 97181537
(1-ethylpiperidin-2-yl)-morpholin-4-ylmethanone
CID 142202703
[1-[4-[2-(morpholine-4-carbonyl)piperidin-1-yl]but-2-ynyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 166220087
N-cyclopropyl-2-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 47075935
[1-[(2,6-dichloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 71989099
3-methyl-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 110285986
2-hex-5-enyl-1-morpholin-4-ylbutane-1,3-dione
CID 101231184
[(2S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 77096881
3-[2-(morpholine-4-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981521
2-(morpholine-4-carbonyl)pyrrolidine-1-sulfonamide
CID 112684499
[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 95176295
3-amino-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 62670176

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(2R)-2-hydroxyhex-5-enyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S)-1-[(2R)-2-hydroxyhex-5-enyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 124855993) is [(2S)-1-[(2R)-2-hydroxyhex-5-enyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S)-1-[(2R)-2-hydroxyhex-5-enyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S)-1-[(2R)-2-hydroxyhex-5-enyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone is C=CCC[C@@H](O)CN1CCC[C@H]1C(=O)N1CCOCC1.
What is the InChIKey of [(2S)-1-[(2R)-2-hydroxyhex-5-enyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is DNHFBLBUBIXQQS-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-3-5-13(18)12-17-7-4-6-14(17)15(19)16-8-10-20-11-9-16/h2,13-14,18H,1,3-12H2/t13-,14+/m1/s1.
What are the key properties of [(2S)-1-[(2R)-2-hydroxyhex-5-enyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S)-1-[(2R)-2-hydroxyhex-5-enyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 282.38 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(2R)-2-hydroxyhex-5-enyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 124855993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).