trans-(1S,2R)-2-[(3S)-4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol

C14H19N3O4 — CID 125423838

IUPACtrans-(1S,2R)-2-[(3S)-4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol
SMILESO=[N+]([O-])c1cccnc1N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O
InChIInChI=1S/C14H19N3O4/c18-13-5-1-3-10(13)12-9-21-8-7-16(12)14-11(17(19)20)4-2-6-15-14/h2,4,6,10,12-13,18H,1,3,5,7-9H2/t10-,12-,13+/m1/s1
InChIKeyHIJSRYWCRVMPAM-RTXFEEFZSA-N
MW293.32 g/mol
LogP1.36
Rot. Bonds3

About trans-(1S,2R)-2-[(3S)-4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol

trans-(1S,2R)-2-[(3S)-4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol (PubChem CID 125423838) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is trans-(1S,2R)-2-[(3S)-4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-2-[(3S)-4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol
PubChem CID125423838
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Nametrans-(1S,2R)-2-[(3S)-4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol
SMILESO=[N+]([O-])c1cccnc1N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O
InChIInChI=1S/C14H19N3O4/c18-13-5-1-3-10(13)12-9-21-8-7-16(12)14-11(17(19)20)4-2-6-15-14/h2,4,6,10,12-13,18H,1,3,5,7-9H2/t10-,12-,13+/m1/s1
InChIKeyHIJSRYWCRVMPAM-RTXFEEFZSA-N
XLogP1.36
TPSA88.73 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 ≤ 51.36
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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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-[(3S)-4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2R)-2-[(3S)-4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol (CID 125423838) is trans-(1S,2R)-2-[(3S)-4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2R)-2-[(3S)-4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2R)-2-[(3S)-4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol is O=[N+]([O-])c1cccnc1N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O.
What is the InChIKey of trans-(1S,2R)-2-[(3S)-4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol?
The InChIKey is HIJSRYWCRVMPAM-RTXFEEFZSA-N. The full InChI is InChI=1S/C14H19N3O4/c18-13-5-1-3-10(13)12-9-21-8-7-16(12)14-11(17(19)20)4-2-6-15-14/h2,4,6,10,12-13,18H,1,3,5,7-9H2/t10-,12-,13+/m1/s1.
What are the key properties of trans-(1S,2R)-2-[(3S)-4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol?
trans-(1S,2R)-2-[(3S)-4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol has a molecular weight of 293.32 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-[(3S)-4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol is sourced from PubChem (CID 125423838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).