(2R,3R)-2-cyclohexyl-3-nitropentanal

C11H19NO3 — CID 135005558

IUPAC(2R,3R)-2-cyclohexyl-3-nitropentanal
SMILESCC[C@H]([C@H](C=O)C1CCCCC1)[N+](=O)[O-]
InChIInChI=1S/C11H19NO3/c1-2-11(12(14)15)10(8-13)9-6-4-3-5-7-9/h8-11H,2-7H2,1H3/t10-,11-/m1/s1
InChIKeyRHDUNYDUMNELKQ-GHMZBOCLSA-N
MW213.28 g/mol
LogP2.44
Rot. Bonds5

About (2R,3R)-2-cyclohexyl-3-nitropentanal

(2R,3R)-2-cyclohexyl-3-nitropentanal (PubChem CID 135005558) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2R,3R)-2-cyclohexyl-3-nitropentanal.

Molecular Properties

Compound Name(2R,3R)-2-cyclohexyl-3-nitropentanal
PubChem CID135005558
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(2R,3R)-2-cyclohexyl-3-nitropentanal
SMILESCC[C@H]([C@H](C=O)C1CCCCC1)[N+](=O)[O-]
InChIInChI=1S/C11H19NO3/c1-2-11(12(14)15)10(8-13)9-6-4-3-5-7-9/h8-11H,2-7H2,1H3/t10-,11-/m1/s1
InChIKeyRHDUNYDUMNELKQ-GHMZBOCLSA-N
XLogP2.44
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-cyclohexylbutanal
CID 88959248
2-(2-nitrocyclohexyl)butanal
CID 75048331
[(2S)-1-nitropropan-2-yl]cyclohexane
CID 134994410
(2R)-3-nitropentan-2-ol
CID 57147135
2-(cyclohexylamino)butanal
CID 143660435
(3S)-3-cyclohexyl-3-hydroxy-2-methylpropanal
CID 87862322
2-(1-nitropropyl)cyclohexane-1-carbaldehyde
CID 76751425
(3R,4R)-5-cyclobutyl-3-hydroxy-4-nitropentan-2-one
CID 59318581
(3S)-3-[(1R)-1-nitropropyl]cycloheptan-1-one
CID 101374572
N-(1-cyclohexylpropyl)-5-nitropyrimidin-2-amine
CID 55069697
butan-2-ylcyclohexadecane
CID 123713671
difluoromethylcyclohexane;propane
CID 144840509

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-cyclohexyl-3-nitropentanal?
The IUPAC name of (2R,3R)-2-cyclohexyl-3-nitropentanal (CID 135005558) is (2R,3R)-2-cyclohexyl-3-nitropentanal.
What is the SMILES notation for (2R,3R)-2-cyclohexyl-3-nitropentanal?
The canonical SMILES for (2R,3R)-2-cyclohexyl-3-nitropentanal is CC[C@H]([C@H](C=O)C1CCCCC1)[N+](=O)[O-].
What is the InChIKey of (2R,3R)-2-cyclohexyl-3-nitropentanal?
The InChIKey is RHDUNYDUMNELKQ-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-11(12(14)15)10(8-13)9-6-4-3-5-7-9/h8-11H,2-7H2,1H3/t10-,11-/m1/s1.
What are the key properties of (2R,3R)-2-cyclohexyl-3-nitropentanal?
(2R,3R)-2-cyclohexyl-3-nitropentanal has a molecular weight of 213.28 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-cyclohexyl-3-nitropentanal is sourced from PubChem (CID 135005558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).