(2-nitro-1-bicyclo[3.1.0]hexanyl)methanol;hydrochloride

C7H12ClNO3 — CID 157152841

IUPAC(2-nitro-1-bicyclo[3.1.0]hexanyl)methanol;hydrochloride
SMILESCl.O=[N+]([O-])C1CCC2CC21CO
InChIInChI=1S/C7H11NO3.ClH/c9-4-7-3-5(7)1-2-6(7)8(10)11;/h5-6,9H,1-4H2;1H
InChIKeyDDFINHMXNOGEQX-UHFFFAOYSA-N
MW193.63 g/mol
LogP0.85
Rot. Bonds2

About (2-nitro-1-bicyclo[3.1.0]hexanyl)methanol;hydrochloride

(2-nitro-1-bicyclo[3.1.0]hexanyl)methanol;hydrochloride (PubChem CID 157152841) has the molecular formula C7H12ClNO3 and a molecular weight of 193.63 g/mol. Its IUPAC name is (2-nitro-1-bicyclo[3.1.0]hexanyl)methanol;hydrochloride.

Molecular Properties

Compound Name(2-nitro-1-bicyclo[3.1.0]hexanyl)methanol;hydrochloride
PubChem CID157152841
Molecular FormulaC7H12ClNO3
Molecular Weight193.63 g/mol
Exact Mass193.05
IUPAC Name(2-nitro-1-bicyclo[3.1.0]hexanyl)methanol;hydrochloride
SMILESCl.O=[N+]([O-])C1CCC2CC21CO
InChIInChI=1S/C7H11NO3.ClH/c9-4-7-3-5(7)1-2-6(7)8(10)11;/h5-6,9H,1-4H2;1H
InChIKeyDDFINHMXNOGEQX-UHFFFAOYSA-N
XLogP0.85
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 50.85
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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Frequently Asked Questions

What is the IUPAC name of (2-nitro-1-bicyclo[3.1.0]hexanyl)methanol;hydrochloride?
The IUPAC name of (2-nitro-1-bicyclo[3.1.0]hexanyl)methanol;hydrochloride (CID 157152841) is (2-nitro-1-bicyclo[3.1.0]hexanyl)methanol;hydrochloride.
What is the SMILES notation for (2-nitro-1-bicyclo[3.1.0]hexanyl)methanol;hydrochloride?
The canonical SMILES for (2-nitro-1-bicyclo[3.1.0]hexanyl)methanol;hydrochloride is Cl.O=[N+]([O-])C1CCC2CC21CO.
What is the InChIKey of (2-nitro-1-bicyclo[3.1.0]hexanyl)methanol;hydrochloride?
The InChIKey is DDFINHMXNOGEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3.ClH/c9-4-7-3-5(7)1-2-6(7)8(10)11;/h5-6,9H,1-4H2;1H.
What are the key properties of (2-nitro-1-bicyclo[3.1.0]hexanyl)methanol;hydrochloride?
(2-nitro-1-bicyclo[3.1.0]hexanyl)methanol;hydrochloride has a molecular weight of 193.63 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitro-1-bicyclo[3.1.0]hexanyl)methanol;hydrochloride is sourced from PubChem (CID 157152841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).