(E,2R,5R)-5-nitrohex-3-en-2-ol

C6H11NO3 — CID 10558746

IUPAC(E,2R,5R)-5-nitrohex-3-en-2-ol
SMILESC[C@H](/C=C/[C@@H](C)O)[N+](=O)[O-]
InChIInChI=1S/C6H11NO3/c1-5(7(9)10)3-4-6(2)8/h3-6,8H,1-2H3/b4-3+/t5-,6-/m1/s1
InChIKeyYIXUIRRDAPDFAL-BYVKAKODSA-N
MW145.16 g/mol
LogP0.59
Rot. Bonds3

About (E,2R,5R)-5-nitrohex-3-en-2-ol

(E,2R,5R)-5-nitrohex-3-en-2-ol (PubChem CID 10558746) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (E,2R,5R)-5-nitrohex-3-en-2-ol.

Molecular Properties

Compound Name(E,2R,5R)-5-nitrohex-3-en-2-ol
PubChem CID10558746
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(E,2R,5R)-5-nitrohex-3-en-2-ol
SMILESC[C@H](/C=C/[C@@H](C)O)[N+](=O)[O-]
InChIInChI=1S/C6H11NO3/c1-5(7(9)10)3-4-6(2)8/h3-6,8H,1-2H3/b4-3+/t5-,6-/m1/s1
InChIKeyYIXUIRRDAPDFAL-BYVKAKODSA-N
XLogP0.59
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E,2R,5R)-5-nitrohex-3-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;1-nitroethanol
CID 88789428
copper 1-nitroethanol
CID 87244389
methyl (E,5R)-5-nitrohex-3-enoate
CID 10725880
(2R)-3-nitrobutan-2-ol
CID 57132293
magnesium;propan-2-ol;dinitrate
CID 172773063
(E)-5-methylhex-3-en-2-ol
CID 11251985
(Z,2R)-5-methylhex-3-en-2-ol
CID 89011913
[(E)-3-nitrobut-1-enyl]benzene
CID 88669673
(E,2S,5R)-6-(benzenesulfonyl)-5-methyl-6-nitrohex-3-en-2-ol
CID 15727077
(E,2Z,5S)-2-hydroxyimino-N-methyl-5-nitrohex-3-enamide
CID 124581805
(NE)-N-[(6E)-4-amino-8-nitronona-1,6-dien-5-ylidene]hydroxylamine
CID 87084800
5-hydroxy-2-methylhex-3-enal
CID 91166118

Frequently Asked Questions

What is the IUPAC name of (E,2R,5R)-5-nitrohex-3-en-2-ol?
The IUPAC name of (E,2R,5R)-5-nitrohex-3-en-2-ol (CID 10558746) is (E,2R,5R)-5-nitrohex-3-en-2-ol.
What is the SMILES notation for (E,2R,5R)-5-nitrohex-3-en-2-ol?
The canonical SMILES for (E,2R,5R)-5-nitrohex-3-en-2-ol is C[C@H](/C=C/[C@@H](C)O)[N+](=O)[O-].
What is the InChIKey of (E,2R,5R)-5-nitrohex-3-en-2-ol?
The InChIKey is YIXUIRRDAPDFAL-BYVKAKODSA-N. The full InChI is InChI=1S/C6H11NO3/c1-5(7(9)10)3-4-6(2)8/h3-6,8H,1-2H3/b4-3+/t5-,6-/m1/s1.
What are the key properties of (E,2R,5R)-5-nitrohex-3-en-2-ol?
(E,2R,5R)-5-nitrohex-3-en-2-ol has a molecular weight of 145.16 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,5R)-5-nitrohex-3-en-2-ol is sourced from PubChem (CID 10558746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).