[(1S,2R,3S)-2-(hydroxymethyl)-3-phenylcyclopropyl]-morpholin-4-ylmethanone

C15H19NO3 — CID 23256387

IUPAC[(1S,2R,3S)-2-(hydroxymethyl)-3-phenylcyclopropyl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1[C@H](CO)[C@@H]1c1ccccc1)N1CCOCC1
InChIInChI=1S/C15H19NO3/c17-10-12-13(11-4-2-1-3-5-11)14(12)15(18)16-6-8-19-9-7-16/h1-5,12-14,17H,6-10H2/t12-,13+,14-/m1/s1
InChIKeyNARCQXHTYPLIFY-HZSPNIEDSA-N
MW261.32 g/mol
LogP0.87
Rot. Bonds3

About [(1S,2R,3S)-2-(hydroxymethyl)-3-phenylcyclopropyl]-morpholin-4-ylmethanone

[(1S,2R,3S)-2-(hydroxymethyl)-3-phenylcyclopropyl]-morpholin-4-ylmethanone (PubChem CID 23256387) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is [(1S,2R,3S)-2-(hydroxymethyl)-3-phenylcyclopropyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(1S,2R,3S)-2-(hydroxymethyl)-3-phenylcyclopropyl]-morpholin-4-ylmethanone
PubChem CID23256387
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name[(1S,2R,3S)-2-(hydroxymethyl)-3-phenylcyclopropyl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1[C@H](CO)[C@@H]1c1ccccc1)N1CCOCC1
InChIInChI=1S/C15H19NO3/c17-10-12-13(11-4-2-1-3-5-11)14(12)15(18)16-6-8-19-9-7-16/h1-5,12-14,17H,6-10H2/t12-,13+,14-/m1/s1
InChIKeyNARCQXHTYPLIFY-HZSPNIEDSA-N
XLogP0.87
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(2R,4R)-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid
CID 1150738
methyl 3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylate
CID 646595
[(1R,2S,3R)-2-(hydroxymethyl)-3-methylcyclopropyl]-morpholin-4-ylmethanone
CID 101259719
morpholin-4-yl-(4-phenylpiperidin-1-yl)methanone
CID 67308530
N-[(4-methylphenyl)methylideneamino]-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxamide
CID 6618330
morpholin-4-yl-(2-phenylmorpholin-4-yl)methanone
CID 110291317
[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-(4-phenylpiperidin-1-yl)methanone
CID 136583837
morpholin-4-yl-(5-phenylpiperidin-3-yl)methanone
CID 166794041
(E)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpent-2-en-1-one
CID 110619017
[(1S,2S,3S)-2-phenyl-3-[(E)-2-trimethylsilylethenyl]cyclopropyl]-piperidin-1-ylmethanone
CID 10687684
(2R,4S)-N-benzyl-4-(morpholine-4-carbonyl)-1-prop-2-enoylazetidine-2-carboxamide
CID 146072739
(5S)-1-benzyl-5-(morpholine-4-carbonyl)pyrrolidine-2-carbaldehyde
CID 174775048

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3S)-2-(hydroxymethyl)-3-phenylcyclopropyl]-morpholin-4-ylmethanone?
The IUPAC name of [(1S,2R,3S)-2-(hydroxymethyl)-3-phenylcyclopropyl]-morpholin-4-ylmethanone (CID 23256387) is [(1S,2R,3S)-2-(hydroxymethyl)-3-phenylcyclopropyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(1S,2R,3S)-2-(hydroxymethyl)-3-phenylcyclopropyl]-morpholin-4-ylmethanone?
The canonical SMILES for [(1S,2R,3S)-2-(hydroxymethyl)-3-phenylcyclopropyl]-morpholin-4-ylmethanone is O=C([C@@H]1[C@H](CO)[C@@H]1c1ccccc1)N1CCOCC1.
What is the InChIKey of [(1S,2R,3S)-2-(hydroxymethyl)-3-phenylcyclopropyl]-morpholin-4-ylmethanone?
The InChIKey is NARCQXHTYPLIFY-HZSPNIEDSA-N. The full InChI is InChI=1S/C15H19NO3/c17-10-12-13(11-4-2-1-3-5-11)14(12)15(18)16-6-8-19-9-7-16/h1-5,12-14,17H,6-10H2/t12-,13+,14-/m1/s1.
What are the key properties of [(1S,2R,3S)-2-(hydroxymethyl)-3-phenylcyclopropyl]-morpholin-4-ylmethanone?
[(1S,2R,3S)-2-(hydroxymethyl)-3-phenylcyclopropyl]-morpholin-4-ylmethanone has a molecular weight of 261.32 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,3S)-2-(hydroxymethyl)-3-phenylcyclopropyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 23256387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).