[(3R)-3-cyclopropylmorpholin-4-yl]-(2-hydroxy-3-nitrophenyl)methanone

C14H16N2O5 — CID 97099708

IUPAC[(3R)-3-cyclopropylmorpholin-4-yl]-(2-hydroxy-3-nitrophenyl)methanone
SMILESO=C(c1cccc([N+](=O)[O-])c1O)N1CCOC[C@H]1C1CC1
InChIInChI=1S/C14H16N2O5/c17-13-10(2-1-3-11(13)16(19)20)14(18)15-6-7-21-8-12(15)9-4-5-9/h1-3,9,12,17H,4-8H2/t12-/m0/s1
InChIKeyDHOCIPSINACROL-LBPRGKRZSA-N
MW292.29 g/mol
LogP1.55
Rot. Bonds3

About [(3R)-3-cyclopropylmorpholin-4-yl]-(2-hydroxy-3-nitrophenyl)methanone

[(3R)-3-cyclopropylmorpholin-4-yl]-(2-hydroxy-3-nitrophenyl)methanone (PubChem CID 97099708) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is [(3R)-3-cyclopropylmorpholin-4-yl]-(2-hydroxy-3-nitrophenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-cyclopropylmorpholin-4-yl]-(2-hydroxy-3-nitrophenyl)methanone
PubChem CID97099708
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name[(3R)-3-cyclopropylmorpholin-4-yl]-(2-hydroxy-3-nitrophenyl)methanone
SMILESO=C(c1cccc([N+](=O)[O-])c1O)N1CCOC[C@H]1C1CC1
InChIInChI=1S/C14H16N2O5/c17-13-10(2-1-3-11(13)16(19)20)14(18)15-6-7-21-8-12(15)9-4-5-9/h1-3,9,12,17H,4-8H2/t12-/m0/s1
InChIKeyDHOCIPSINACROL-LBPRGKRZSA-N
XLogP1.55
TPSA92.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(2-hydroxy-3-nitrophenyl)methanone
CID 99628395
2-hydroxy-N-methyl-3-nitro-N-[(3S)-oxolan-3-yl]benzamide
CID 99716959
1-(2-hydroxy-3-nitrobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 103800275
4-(2-chloro-3-nitrobenzoyl)morpholine-3-carboxamide
CID 115931399
(2-chloro-3-nitrophenyl)-(3-ethylmorpholin-4-yl)methanone
CID 115930941
(5-ethyl-2-methylmorpholin-4-yl)-(2-hydroxy-3-nitrophenyl)methanone
CID 103800414
(2-hydroxy-3-nitrophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 103746323
(2-hydroxy-3-nitrophenyl)-pyrrol-1-ylmethanone
CID 141362308
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-hydroxy-3-nitrophenyl)methanone
CID 103874601
2-amino-1-(3-cyclopropylmorpholin-4-yl)-2-phenylethanone
CID 91660196
(3-ethylpiperidin-1-yl)-(2-hydroxy-3-nitrophenyl)methanone
CID 103746374
(2-hydroxy-3-nitrophenyl)-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)methanone
CID 99717540

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-cyclopropylmorpholin-4-yl]-(2-hydroxy-3-nitrophenyl)methanone?
The IUPAC name of [(3R)-3-cyclopropylmorpholin-4-yl]-(2-hydroxy-3-nitrophenyl)methanone (CID 97099708) is [(3R)-3-cyclopropylmorpholin-4-yl]-(2-hydroxy-3-nitrophenyl)methanone.
What is the SMILES notation for [(3R)-3-cyclopropylmorpholin-4-yl]-(2-hydroxy-3-nitrophenyl)methanone?
The canonical SMILES for [(3R)-3-cyclopropylmorpholin-4-yl]-(2-hydroxy-3-nitrophenyl)methanone is O=C(c1cccc([N+](=O)[O-])c1O)N1CCOC[C@H]1C1CC1.
What is the InChIKey of [(3R)-3-cyclopropylmorpholin-4-yl]-(2-hydroxy-3-nitrophenyl)methanone?
The InChIKey is DHOCIPSINACROL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16N2O5/c17-13-10(2-1-3-11(13)16(19)20)14(18)15-6-7-21-8-12(15)9-4-5-9/h1-3,9,12,17H,4-8H2/t12-/m0/s1.
What are the key properties of [(3R)-3-cyclopropylmorpholin-4-yl]-(2-hydroxy-3-nitrophenyl)methanone?
[(3R)-3-cyclopropylmorpholin-4-yl]-(2-hydroxy-3-nitrophenyl)methanone has a molecular weight of 292.29 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-cyclopropylmorpholin-4-yl]-(2-hydroxy-3-nitrophenyl)methanone is sourced from PubChem (CID 97099708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).