(2R)-1-nitrononan-2-ol

C9H19NO3 — CID 24866074

IUPAC(2R)-1-nitrononan-2-ol
SMILESCCCCCCC[C@@H](O)C[N+](=O)[O-]
InChIInChI=1S/C9H19NO3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3/t9-/m1/s1
InChIKeyVQBXYLSXCORZGJ-SECBINFHSA-N
MW189.25 g/mol
LogP1.98
Rot. Bonds8

About (2R)-1-nitrononan-2-ol

(2R)-1-nitrononan-2-ol (PubChem CID 24866074) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is (2R)-1-nitrononan-2-ol.

Molecular Properties

Compound Name(2R)-1-nitrononan-2-ol
PubChem CID24866074
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name(2R)-1-nitrononan-2-ol
SMILESCCCCCCC[C@@H](O)C[N+](=O)[O-]
InChIInChI=1S/C9H19NO3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3/t9-/m1/s1
InChIKeyVQBXYLSXCORZGJ-SECBINFHSA-N
XLogP1.98
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

1-nitropentadecan-2-ol
CID 71389905
1-nitrotetradecan-2-ol
CID 21398670
(6E,9E,12E,15E)-1-nitrohenicosa-6,9,12,15-tetraen-2-ol
CID 22344850
(7R)-hexatriacontan-7-ol
CID 88529159
nonacosane-7,20-diol
CID 174949468
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
tetratetracontan-22-ol
CID 91434437
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
2-nitrodecan-3-ol
CID 11629807

Frequently Asked Questions

What is the IUPAC name of (2R)-1-nitrononan-2-ol?
The IUPAC name of (2R)-1-nitrononan-2-ol (CID 24866074) is (2R)-1-nitrononan-2-ol.
What is the SMILES notation for (2R)-1-nitrononan-2-ol?
The canonical SMILES for (2R)-1-nitrononan-2-ol is CCCCCCC[C@@H](O)C[N+](=O)[O-].
What is the InChIKey of (2R)-1-nitrononan-2-ol?
The InChIKey is VQBXYLSXCORZGJ-SECBINFHSA-N. The full InChI is InChI=1S/C9H19NO3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-1-nitrononan-2-ol?
(2R)-1-nitrononan-2-ol has a molecular weight of 189.25 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-nitrononan-2-ol is sourced from PubChem (CID 24866074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).