(3R)-3-(2-chloro-4-nitrophenyl)cyclopentan-1-one

C11H10ClNO3 — CID 100914193

IUPAC(3R)-3-(2-chloro-4-nitrophenyl)cyclopentan-1-one
SMILESO=C1CC[C@@H](c2ccc([N+](=O)[O-])cc2Cl)C1
InChIInChI=1S/C11H10ClNO3/c12-11-6-8(13(15)16)2-4-10(11)7-1-3-9(14)5-7/h2,4,6-7H,1,3,5H2/t7-/m1/s1
InChIKeyHSLRHTXNBDXSLZ-SSDOTTSWSA-N
MW239.66 g/mol
LogP3.08
Rot. Bonds2

About (3R)-3-(2-chloro-4-nitrophenyl)cyclopentan-1-one

(3R)-3-(2-chloro-4-nitrophenyl)cyclopentan-1-one (PubChem CID 100914193) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is (3R)-3-(2-chloro-4-nitrophenyl)cyclopentan-1-one.

Molecular Properties

Compound Name(3R)-3-(2-chloro-4-nitrophenyl)cyclopentan-1-one
PubChem CID100914193
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Name(3R)-3-(2-chloro-4-nitrophenyl)cyclopentan-1-one
SMILESO=C1CC[C@@H](c2ccc([N+](=O)[O-])cc2Cl)C1
InChIInChI=1S/C11H10ClNO3/c12-11-6-8(13(15)16)2-4-10(11)7-1-3-9(14)5-7/h2,4,6-7H,1,3,5H2/t7-/m1/s1
InChIKeyHSLRHTXNBDXSLZ-SSDOTTSWSA-N
XLogP3.08
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(5S)-5-(2-chloro-5-nitrophenyl)pyrrolidin-2-one
CID 129411077
1,4-bis(2-chloro-4-nitrophenyl)piperazine
CID 3829099
5-(2-chloro-5-nitrophenyl)oxolan-2-one
CID 90237929
2-chloro-4-nitro-N-(2-oxothiolan-3-yl)benzamide
CID 3113374
2-cyclopropyl-4-nitrophenol
CID 58858109
5-(2-chloro-4-nitroanilino)piperidin-2-one
CID 62490251
1-(2-chloro-4-nitrophenyl)-4-phenylpiperidine
CID 13176085
4-nitro-12-thiatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
CID 91132080
1-(2-chloro-4-nitrophenyl)-4-methoxypiperidine
CID 175290845
potassium 2-chloro-4-nitrophenol
CID 71150199
1,2-dichloro-4-nitrobenzene;1,2,3-trichloro-5-nitrobenzene
CID 155677930
3-(4-chloro-3-fluorophenyl)cyclopentan-1-one
CID 130044708

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-chloro-4-nitrophenyl)cyclopentan-1-one?
The IUPAC name of (3R)-3-(2-chloro-4-nitrophenyl)cyclopentan-1-one (CID 100914193) is (3R)-3-(2-chloro-4-nitrophenyl)cyclopentan-1-one.
What is the SMILES notation for (3R)-3-(2-chloro-4-nitrophenyl)cyclopentan-1-one?
The canonical SMILES for (3R)-3-(2-chloro-4-nitrophenyl)cyclopentan-1-one is O=C1CC[C@@H](c2ccc([N+](=O)[O-])cc2Cl)C1.
What is the InChIKey of (3R)-3-(2-chloro-4-nitrophenyl)cyclopentan-1-one?
The InChIKey is HSLRHTXNBDXSLZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H10ClNO3/c12-11-6-8(13(15)16)2-4-10(11)7-1-3-9(14)5-7/h2,4,6-7H,1,3,5H2/t7-/m1/s1.
What are the key properties of (3R)-3-(2-chloro-4-nitrophenyl)cyclopentan-1-one?
(3R)-3-(2-chloro-4-nitrophenyl)cyclopentan-1-one has a molecular weight of 239.66 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-chloro-4-nitrophenyl)cyclopentan-1-one is sourced from PubChem (CID 100914193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).