[(1R)-3-nitrocyclohex-3-en-1-yl]methanol

C7H11NO3 — CID 175866155

IUPAC[(1R)-3-nitrocyclohex-3-en-1-yl]methanol
SMILESO=[N+]([O-])C1=CCC[C@@H](CO)C1
InChIInChI=1S/C7H11NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h3,6,9H,1-2,4-5H2/t6-/m1/s1
InChIKeyUXQSOWWYJSDHPY-ZCFIWIBFSA-N
MW157.17 g/mol
LogP0.94
Rot. Bonds2

About [(1R)-3-nitrocyclohex-3-en-1-yl]methanol

[(1R)-3-nitrocyclohex-3-en-1-yl]methanol (PubChem CID 175866155) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is [(1R)-3-nitrocyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R)-3-nitrocyclohex-3-en-1-yl]methanol
PubChem CID175866155
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name[(1R)-3-nitrocyclohex-3-en-1-yl]methanol
SMILESO=[N+]([O-])C1=CCC[C@@H](CO)C1
InChIInChI=1S/C7H11NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h3,6,9H,1-2,4-5H2/t6-/m1/s1
InChIKeyUXQSOWWYJSDHPY-ZCFIWIBFSA-N
XLogP0.94
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.94
H-Bond Donors ≤ 51
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

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CID 175808843
[3-(hydroxymethyl)cyclohex-3-en-1-yl]methanol
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5-(hydroxymethyl)cyclohexene-1-carbonitrile
CID 123956742
(3-phenylcyclohex-3-en-1-yl)methanol
CID 15185954
cyclohex-3-en-1-ylmethanol;2-nitrobenzenesulfonic acid
CID 175353725
1-nitrocyclooctene
CID 54042772
[(3R)-1-(2-nitrophenyl)piperidin-3-yl]methanol
CID 33291102
ethane;1-nitrocyclohexene
CID 123419787
[1-(4-nitrophenyl)pyrrolidin-3-yl]methanol
CID 62370454
[1-(2,6-dichloro-4-nitrophenyl)piperidin-4-yl]methanol
CID 103952600
[1-(3-chloro-2-nitrophenyl)pyrrolidin-3-yl]methanol
CID 104839141
(4-nitro-1,2,3,5,6,7-hexahydro-s-indacen-2-yl)methanol
CID 162394396

Frequently Asked Questions

What is the IUPAC name of [(1R)-3-nitrocyclohex-3-en-1-yl]methanol?
The IUPAC name of [(1R)-3-nitrocyclohex-3-en-1-yl]methanol (CID 175866155) is [(1R)-3-nitrocyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [(1R)-3-nitrocyclohex-3-en-1-yl]methanol?
The canonical SMILES for [(1R)-3-nitrocyclohex-3-en-1-yl]methanol is O=[N+]([O-])C1=CCC[C@@H](CO)C1.
What is the InChIKey of [(1R)-3-nitrocyclohex-3-en-1-yl]methanol?
The InChIKey is UXQSOWWYJSDHPY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h3,6,9H,1-2,4-5H2/t6-/m1/s1.
What are the key properties of [(1R)-3-nitrocyclohex-3-en-1-yl]methanol?
[(1R)-3-nitrocyclohex-3-en-1-yl]methanol has a molecular weight of 157.17 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-3-nitrocyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 175866155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).