[(1R,2R)-2-(furan-2-yl)cyclopropyl]-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone

C19H21NO3 — CID 124850593

IUPAC[(1R,2R)-2-(furan-2-yl)cyclopropyl]-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccco2)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C19H21NO3/c1-13-11-20(12-18(23-13)14-6-3-2-4-7-14)19(21)16-10-15(16)17-8-5-9-22-17/h2-9,13,15-16,18H,10-12H2,1H3/t13-,15-,16-,18+/m1/s1
InChIKeyMJWMKDDPNZRZRH-IIVZCXTMSA-N
MW311.38 g/mol
LogP3.37
Rot. Bonds3

About [(1R,2R)-2-(furan-2-yl)cyclopropyl]-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone

[(1R,2R)-2-(furan-2-yl)cyclopropyl]-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone (PubChem CID 124850593) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is [(1R,2R)-2-(furan-2-yl)cyclopropyl]-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[(1R,2R)-2-(furan-2-yl)cyclopropyl]-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
PubChem CID124850593
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name[(1R,2R)-2-(furan-2-yl)cyclopropyl]-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccco2)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C19H21NO3/c1-13-11-20(12-18(23-13)14-6-3-2-4-7-14)19(21)16-10-15(16)17-8-5-9-22-17/h2-9,13,15-16,18H,10-12H2,1H3/t13-,15-,16-,18+/m1/s1
InChIKeyMJWMKDDPNZRZRH-IIVZCXTMSA-N
XLogP3.37
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(furan-2-yl)cyclopropyl]-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone?
The IUPAC name of [(1R,2R)-2-(furan-2-yl)cyclopropyl]-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone (CID 124850593) is [(1R,2R)-2-(furan-2-yl)cyclopropyl]-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone.
What is the SMILES notation for [(1R,2R)-2-(furan-2-yl)cyclopropyl]-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone?
The canonical SMILES for [(1R,2R)-2-(furan-2-yl)cyclopropyl]-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccco2)C[C@@H](c2ccccc2)O1.
What is the InChIKey of [(1R,2R)-2-(furan-2-yl)cyclopropyl]-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone?
The InChIKey is MJWMKDDPNZRZRH-IIVZCXTMSA-N. The full InChI is InChI=1S/C19H21NO3/c1-13-11-20(12-18(23-13)14-6-3-2-4-7-14)19(21)16-10-15(16)17-8-5-9-22-17/h2-9,13,15-16,18H,10-12H2,1H3/t13-,15-,16-,18+/m1/s1.
What are the key properties of [(1R,2R)-2-(furan-2-yl)cyclopropyl]-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone?
[(1R,2R)-2-(furan-2-yl)cyclopropyl]-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone has a molecular weight of 311.38 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(furan-2-yl)cyclopropyl]-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone is sourced from PubChem (CID 124850593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).