8-(nitromethyl)-1,2,3,5,6,7-hexahydropyrrolizine;hydrochloride

C8H15ClN2O2 — CID 14749486

IUPAC8-(nitromethyl)-1,2,3,5,6,7-hexahydropyrrolizine;hydrochloride
SMILESCl.O=[N+]([O-])CC12CCCN1CCC2
InChIInChI=1S/C8H14N2O2.ClH/c11-10(12)7-8-3-1-5-9(8)6-2-4-8;/h1-7H2;1H
InChIKeyDBETWQYZULHLPL-UHFFFAOYSA-N
MW206.67 g/mol
LogP1.31
Rot. Bonds2

About 8-(nitromethyl)-1,2,3,5,6,7-hexahydropyrrolizine;hydrochloride

8-(nitromethyl)-1,2,3,5,6,7-hexahydropyrrolizine;hydrochloride (PubChem CID 14749486) has the molecular formula C8H15ClN2O2 and a molecular weight of 206.67 g/mol. Its IUPAC name is 8-(nitromethyl)-1,2,3,5,6,7-hexahydropyrrolizine;hydrochloride.

Molecular Properties

Compound Name8-(nitromethyl)-1,2,3,5,6,7-hexahydropyrrolizine;hydrochloride
PubChem CID14749486
Molecular FormulaC8H15ClN2O2
Molecular Weight206.67 g/mol
Exact Mass206.08
IUPAC Name8-(nitromethyl)-1,2,3,5,6,7-hexahydropyrrolizine;hydrochloride
SMILESCl.O=[N+]([O-])CC12CCCN1CCC2
InChIInChI=1S/C8H14N2O2.ClH/c11-10(12)7-8-3-1-5-9(8)6-2-4-8;/h1-7H2;1H
InChIKeyDBETWQYZULHLPL-UHFFFAOYSA-N
XLogP1.31
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 51.31
H-Bond Donors ≤ 50
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 8-(nitromethyl)-1,2,3,5,6,7-hexahydropyrrolizine;hydrochloride?
The IUPAC name of 8-(nitromethyl)-1,2,3,5,6,7-hexahydropyrrolizine;hydrochloride (CID 14749486) is 8-(nitromethyl)-1,2,3,5,6,7-hexahydropyrrolizine;hydrochloride.
What is the SMILES notation for 8-(nitromethyl)-1,2,3,5,6,7-hexahydropyrrolizine;hydrochloride?
The canonical SMILES for 8-(nitromethyl)-1,2,3,5,6,7-hexahydropyrrolizine;hydrochloride is Cl.O=[N+]([O-])CC12CCCN1CCC2.
What is the InChIKey of 8-(nitromethyl)-1,2,3,5,6,7-hexahydropyrrolizine;hydrochloride?
The InChIKey is DBETWQYZULHLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2.ClH/c11-10(12)7-8-3-1-5-9(8)6-2-4-8;/h1-7H2;1H.
What are the key properties of 8-(nitromethyl)-1,2,3,5,6,7-hexahydropyrrolizine;hydrochloride?
8-(nitromethyl)-1,2,3,5,6,7-hexahydropyrrolizine;hydrochloride has a molecular weight of 206.67 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(nitromethyl)-1,2,3,5,6,7-hexahydropyrrolizine;hydrochloride is sourced from PubChem (CID 14749486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).