(1R,6R,7S,8R)-7-hydroxy-8-methyl-1-nitrobicyclo[4.3.1]decan-10-one

C11H17NO4 — CID 53392224

IUPAC(1R,6R,7S,8R)-7-hydroxy-8-methyl-1-nitrobicyclo[4.3.1]decan-10-one
SMILESC[C@@H]1C[C@]2([N+](=O)[O-])CCCC[C@@H](C2=O)[C@H]1O
InChIInChI=1S/C11H17NO4/c1-7-6-11(12(15)16)5-3-2-4-8(9(7)13)10(11)14/h7-9,13H,2-6H2,1H3/t7-,8-,9+,11-/m1/s1
InChIKeyAHRCAZYTLXCHPO-SDNRWEOFSA-N
MW227.26 g/mol
LogP1.16
Rot. Bonds1

About (1R,6R,7S,8R)-7-hydroxy-8-methyl-1-nitrobicyclo[4.3.1]decan-10-one

(1R,6R,7S,8R)-7-hydroxy-8-methyl-1-nitrobicyclo[4.3.1]decan-10-one (PubChem CID 53392224) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is (1R,6R,7S,8R)-7-hydroxy-8-methyl-1-nitrobicyclo[4.3.1]decan-10-one.

Molecular Properties

Compound Name(1R,6R,7S,8R)-7-hydroxy-8-methyl-1-nitrobicyclo[4.3.1]decan-10-one
PubChem CID53392224
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name(1R,6R,7S,8R)-7-hydroxy-8-methyl-1-nitrobicyclo[4.3.1]decan-10-one
SMILESC[C@@H]1C[C@]2([N+](=O)[O-])CCCC[C@@H](C2=O)[C@H]1O
InChIInChI=1S/C11H17NO4/c1-7-6-11(12(15)16)5-3-2-4-8(9(7)13)10(11)14/h7-9,13H,2-6H2,1H3/t7-,8-,9+,11-/m1/s1
InChIKeyAHRCAZYTLXCHPO-SDNRWEOFSA-N
XLogP1.16
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.16
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

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methyl 7a-nitro-5-oxo-2,3,6,7-tetrahydro-1H-indene-4-carboxylate
CID 5324049
cis-(4R,5S)-2,2,4-trimethyl-5-nitrocyclopentan-1-one
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Frequently Asked Questions

What is the IUPAC name of (1R,6R,7S,8R)-7-hydroxy-8-methyl-1-nitrobicyclo[4.3.1]decan-10-one?
The IUPAC name of (1R,6R,7S,8R)-7-hydroxy-8-methyl-1-nitrobicyclo[4.3.1]decan-10-one (CID 53392224) is (1R,6R,7S,8R)-7-hydroxy-8-methyl-1-nitrobicyclo[4.3.1]decan-10-one.
What is the SMILES notation for (1R,6R,7S,8R)-7-hydroxy-8-methyl-1-nitrobicyclo[4.3.1]decan-10-one?
The canonical SMILES for (1R,6R,7S,8R)-7-hydroxy-8-methyl-1-nitrobicyclo[4.3.1]decan-10-one is C[C@@H]1C[C@]2([N+](=O)[O-])CCCC[C@@H](C2=O)[C@H]1O.
What is the InChIKey of (1R,6R,7S,8R)-7-hydroxy-8-methyl-1-nitrobicyclo[4.3.1]decan-10-one?
The InChIKey is AHRCAZYTLXCHPO-SDNRWEOFSA-N. The full InChI is InChI=1S/C11H17NO4/c1-7-6-11(12(15)16)5-3-2-4-8(9(7)13)10(11)14/h7-9,13H,2-6H2,1H3/t7-,8-,9+,11-/m1/s1.
What are the key properties of (1R,6R,7S,8R)-7-hydroxy-8-methyl-1-nitrobicyclo[4.3.1]decan-10-one?
(1R,6R,7S,8R)-7-hydroxy-8-methyl-1-nitrobicyclo[4.3.1]decan-10-one has a molecular weight of 227.26 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,7S,8R)-7-hydroxy-8-methyl-1-nitrobicyclo[4.3.1]decan-10-one is sourced from PubChem (CID 53392224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).