(3R)-1-(3-morpholin-4-yl-5-nitrophenyl)pyrrolidin-3-ol

C14H19N3O4 — CID 69320000

IUPAC(3R)-1-(3-morpholin-4-yl-5-nitrophenyl)pyrrolidin-3-ol
SMILESO=[N+]([O-])c1cc(N2CCOCC2)cc(N2CC[C@@H](O)C2)c1
InChIInChI=1S/C14H19N3O4/c18-14-1-2-16(10-14)12-7-11(8-13(9-12)17(19)20)15-3-5-21-6-4-15/h7-9,14,18H,1-6,10H2/t14-/m1/s1
InChIKeyYQKARTZFEARHCG-CQSZACIVSA-N
MW293.32 g/mol
LogP1.00
Rot. Bonds3

About (3R)-1-(3-morpholin-4-yl-5-nitrophenyl)pyrrolidin-3-ol

(3R)-1-(3-morpholin-4-yl-5-nitrophenyl)pyrrolidin-3-ol (PubChem CID 69320000) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is (3R)-1-(3-morpholin-4-yl-5-nitrophenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(3-morpholin-4-yl-5-nitrophenyl)pyrrolidin-3-ol
PubChem CID69320000
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name(3R)-1-(3-morpholin-4-yl-5-nitrophenyl)pyrrolidin-3-ol
SMILESO=[N+]([O-])c1cc(N2CCOCC2)cc(N2CC[C@@H](O)C2)c1
InChIInChI=1S/C14H19N3O4/c18-14-1-2-16(10-14)12-7-11(8-13(9-12)17(19)20)15-3-5-21-6-4-15/h7-9,14,18H,1-6,10H2/t14-/m1/s1
InChIKeyYQKARTZFEARHCG-CQSZACIVSA-N
XLogP1.00
TPSA79.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

1-(3-nitrophenyl)pyrrolidin-3-ol
CID 62917312
4-[3-(4-methylpiperazin-1-yl)-5-nitrophenyl]morpholine
CID 69324522
3-morpholin-4-yl-5-nitrobenzoic acid
CID 59817793
1-(3-methyl-5-nitrophenyl)piperidin-3-ol
CID 112649599
1-(3-amino-5-nitrophenyl)piperidin-3-ol
CID 80779870
(3S)-1-(3-nitro-5-propoxyphenyl)pyrrolidin-3-ol
CID 104892885
(3R)-1-(2,6-dichloro-4-nitrophenyl)pyrrolidin-3-ol
CID 103952620
1-(2,6-difluoro-4-nitrophenyl)pyrrolidin-3-ol
CID 58296081
1-(3-hydrazinyl-5-nitrophenyl)piperidin-4-ol
CID 80931571
ethane;methanol;4-(4-nitrophenyl)morpholine
CID 177318557
4-[3-(cyclopropyloxymethyl)-5-nitrophenyl]morpholine
CID 177331560
1-(3-nitrophenyl)piperidin-3-ol
CID 60981138

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-morpholin-4-yl-5-nitrophenyl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(3-morpholin-4-yl-5-nitrophenyl)pyrrolidin-3-ol (CID 69320000) is (3R)-1-(3-morpholin-4-yl-5-nitrophenyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(3-morpholin-4-yl-5-nitrophenyl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(3-morpholin-4-yl-5-nitrophenyl)pyrrolidin-3-ol is O=[N+]([O-])c1cc(N2CCOCC2)cc(N2CC[C@@H](O)C2)c1.
What is the InChIKey of (3R)-1-(3-morpholin-4-yl-5-nitrophenyl)pyrrolidin-3-ol?
The InChIKey is YQKARTZFEARHCG-CQSZACIVSA-N. The full InChI is InChI=1S/C14H19N3O4/c18-14-1-2-16(10-14)12-7-11(8-13(9-12)17(19)20)15-3-5-21-6-4-15/h7-9,14,18H,1-6,10H2/t14-/m1/s1.
What are the key properties of (3R)-1-(3-morpholin-4-yl-5-nitrophenyl)pyrrolidin-3-ol?
(3R)-1-(3-morpholin-4-yl-5-nitrophenyl)pyrrolidin-3-ol has a molecular weight of 293.32 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-morpholin-4-yl-5-nitrophenyl)pyrrolidin-3-ol is sourced from PubChem (CID 69320000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).