3-(furan-2-yl)-1-[(3R)-3-(2-methylpropyl)morpholin-4-yl]propan-1-one

C15H23NO3 — CID 95380638

IUPAC3-(furan-2-yl)-1-[(3R)-3-(2-methylpropyl)morpholin-4-yl]propan-1-one
SMILESCC(C)C[C@@H]1COCCN1C(=O)CCc1ccco1
InChIInChI=1S/C15H23NO3/c1-12(2)10-13-11-18-9-7-16(13)15(17)6-5-14-4-3-8-19-14/h3-4,8,12-13H,5-7,9-11H2,1-2H3/t13-/m1/s1
InChIKeyVFTHVDODWCNIQX-CYBMUJFWSA-N
MW265.35 g/mol
LogP2.49
Rot. Bonds5

About 3-(furan-2-yl)-1-[(3R)-3-(2-methylpropyl)morpholin-4-yl]propan-1-one

3-(furan-2-yl)-1-[(3R)-3-(2-methylpropyl)morpholin-4-yl]propan-1-one (PubChem CID 95380638) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-[(3R)-3-(2-methylpropyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(furan-2-yl)-1-[(3R)-3-(2-methylpropyl)morpholin-4-yl]propan-1-one
PubChem CID95380638
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-(furan-2-yl)-1-[(3R)-3-(2-methylpropyl)morpholin-4-yl]propan-1-one
SMILESCC(C)C[C@@H]1COCCN1C(=O)CCc1ccco1
InChIInChI=1S/C15H23NO3/c1-12(2)10-13-11-18-9-7-16(13)15(17)6-5-14-4-3-8-19-14/h3-4,8,12-13H,5-7,9-11H2,1-2H3/t13-/m1/s1
InChIKeyVFTHVDODWCNIQX-CYBMUJFWSA-N
XLogP2.49
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(furan-2-yl)-1-[3-(2-methoxyethyl)morpholin-4-yl]propan-1-one
CID 136544071
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 80505042
3-(furan-2-yl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 79030540
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 103352230
4-[(3S)-3-(2-methylpropyl)morpholine-4-carbonyl]benzoic acid
CID 124681978
(3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide
CID 95904890
1-[2-(bromomethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 80659467
(3R)-N-[(1R)-1-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide
CID 98871019
4-amino-3-methoxy-1-[3-(2-methylpropyl)morpholin-4-yl]butan-1-one
CID 120592120
1-[(3R)-3-(2-methylpropyl)morpholin-4-yl]-3-(4-nitropyrazol-1-yl)propan-1-one
CID 95380674
1-[2-(2-bromoethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 80665660
3-(5-methylfuran-2-yl)-1-[(3S)-3-phenacylmorpholin-4-yl]propan-1-one
CID 97320572

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-[(3R)-3-(2-methylpropyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(furan-2-yl)-1-[(3R)-3-(2-methylpropyl)morpholin-4-yl]propan-1-one (CID 95380638) is 3-(furan-2-yl)-1-[(3R)-3-(2-methylpropyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(furan-2-yl)-1-[(3R)-3-(2-methylpropyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(furan-2-yl)-1-[(3R)-3-(2-methylpropyl)morpholin-4-yl]propan-1-one is CC(C)C[C@@H]1COCCN1C(=O)CCc1ccco1.
What is the InChIKey of 3-(furan-2-yl)-1-[(3R)-3-(2-methylpropyl)morpholin-4-yl]propan-1-one?
The InChIKey is VFTHVDODWCNIQX-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12(2)10-13-11-18-9-7-16(13)15(17)6-5-14-4-3-8-19-14/h3-4,8,12-13H,5-7,9-11H2,1-2H3/t13-/m1/s1.
What are the key properties of 3-(furan-2-yl)-1-[(3R)-3-(2-methylpropyl)morpholin-4-yl]propan-1-one?
3-(furan-2-yl)-1-[(3R)-3-(2-methylpropyl)morpholin-4-yl]propan-1-one has a molecular weight of 265.35 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-[(3R)-3-(2-methylpropyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 95380638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).