(5-chloro-2-nitrophenyl)-(3-hydroxypyrrolidin-1-yl)methanone

C11H11ClN2O4 — CID 62917930

IUPAC(5-chloro-2-nitrophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC(O)C1
InChIInChI=1S/C11H11ClN2O4/c12-7-1-2-10(14(17)18)9(5-7)11(16)13-4-3-8(15)6-13/h1-2,5,8,15H,3-4,6H2
InChIKeyCSWOQTZMQOZQBO-UHFFFAOYSA-N
MW270.67 g/mol
LogP1.46
Rot. Bonds2

About (5-chloro-2-nitrophenyl)-(3-hydroxypyrrolidin-1-yl)methanone

(5-chloro-2-nitrophenyl)-(3-hydroxypyrrolidin-1-yl)methanone (PubChem CID 62917930) has the molecular formula C11H11ClN2O4 and a molecular weight of 270.67 g/mol. Its IUPAC name is (5-chloro-2-nitrophenyl)-(3-hydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-nitrophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
PubChem CID62917930
Molecular FormulaC11H11ClN2O4
Molecular Weight270.67 g/mol
Exact Mass270.04
IUPAC Name(5-chloro-2-nitrophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC(O)C1
InChIInChI=1S/C11H11ClN2O4/c12-7-1-2-10(14(17)18)9(5-7)11(16)13-4-3-8(15)6-13/h1-2,5,8,15H,3-4,6H2
InChIKeyCSWOQTZMQOZQBO-UHFFFAOYSA-N
XLogP1.46
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(5-chloro-2-nitrophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900209
(3-chloro-4-methylpiperidin-1-yl)-(5-chloro-2-nitrophenyl)methanone
CID 102961536
(4-bromopiperidin-1-yl)-(5-chloro-2-nitrophenyl)methanone
CID 80662676
(5-chloro-2-nitrophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102677692
(4-chloro-2-nitrophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224582
(5-chloro-2-nitrophenyl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 1220180
[(3S)-3-hydroxypyrrolidin-1-yl]-(5-methylsulfanyl-2-nitrophenyl)methanone
CID 79031447
(4-chloro-2-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 43391684
(4,5-difluoro-2-nitrophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916950
(5-chloro-2-nitrophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560237
(5-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918777
(5-chloro-2-nitrophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43216619

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-nitrophenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The IUPAC name of (5-chloro-2-nitrophenyl)-(3-hydroxypyrrolidin-1-yl)methanone (CID 62917930) is (5-chloro-2-nitrophenyl)-(3-hydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-nitrophenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-nitrophenyl)-(3-hydroxypyrrolidin-1-yl)methanone is O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC(O)C1.
What is the InChIKey of (5-chloro-2-nitrophenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The InChIKey is CSWOQTZMQOZQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O4/c12-7-1-2-10(14(17)18)9(5-7)11(16)13-4-3-8(15)6-13/h1-2,5,8,15H,3-4,6H2.
What are the key properties of (5-chloro-2-nitrophenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
(5-chloro-2-nitrophenyl)-(3-hydroxypyrrolidin-1-yl)methanone has a molecular weight of 270.67 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-nitrophenyl)-(3-hydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 62917930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).