[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(furan-3-yl)methanone

C16H23NO3 — CID 134712177

IUPAC[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(furan-3-yl)methanone
SMILESCCCC[C@@H]1CN(C(=O)c2ccoc2)C[C@H](C2CC2)O1
InChIInChI=1S/C16H23NO3/c1-2-3-4-14-9-17(10-15(20-14)12-5-6-12)16(18)13-7-8-19-11-13/h7-8,11-12,14-15H,2-6,9-10H2,1H3/t14-,15-/m1/s1
InChIKeyQAEIVBWACOZAPR-HUUCEWRRSA-N
MW277.36 g/mol
LogP3.09
Rot. Bonds5

About [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(furan-3-yl)methanone

[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(furan-3-yl)methanone (PubChem CID 134712177) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(furan-3-yl)methanone
PubChem CID134712177
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(furan-3-yl)methanone
SMILESCCCC[C@@H]1CN(C(=O)c2ccoc2)C[C@H](C2CC2)O1
InChIInChI=1S/C16H23NO3/c1-2-3-4-14-9-17(10-15(20-14)12-5-6-12)16(18)13-7-8-19-11-13/h7-8,11-12,14-15H,2-6,9-10H2,1H3/t14-,15-/m1/s1
InChIKeyQAEIVBWACOZAPR-HUUCEWRRSA-N
XLogP3.09
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-methylfuran-3-yl)methanone
CID 134713725
[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 155508884
[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone
CID 155505099
[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(4-methoxy-2-pyridinyl)methanone
CID 134712136
[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-morpholin-4-ylphenyl)methanone
CID 155502885
1-[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-2-(4-methylsulfonylphenyl)ethanone
CID 134702820
2-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]-5-methoxy-1H-pyridin-4-one
CID 155910877
(2,6-dimethylmorpholin-4-yl)-(furan-3-yl)methanone
CID 42922601
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-pyridin-4-ylmethanone
CID 155508835
(3-ethyl-4-hydroxypiperidin-1-yl)-(furan-3-yl)methanone
CID 114509899
[3-(chloromethyl)azetidin-1-yl]-(furan-3-yl)methanone
CID 130531402
1-[4-(furan-3-carbonyl)piperazin-1-yl]octan-1-one
CID 134022004

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(furan-3-yl)methanone?
The IUPAC name of [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(furan-3-yl)methanone (CID 134712177) is [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(furan-3-yl)methanone?
The canonical SMILES for [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(furan-3-yl)methanone is CCCC[C@@H]1CN(C(=O)c2ccoc2)C[C@H](C2CC2)O1.
What is the InChIKey of [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(furan-3-yl)methanone?
The InChIKey is QAEIVBWACOZAPR-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-3-4-14-9-17(10-15(20-14)12-5-6-12)16(18)13-7-8-19-11-13/h7-8,11-12,14-15H,2-6,9-10H2,1H3/t14-,15-/m1/s1.
What are the key properties of [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(furan-3-yl)methanone?
[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(furan-3-yl)methanone has a molecular weight of 277.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 134712177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).