6-bicyclo[3.1.0]hexanyl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride

C13H23ClN2O — CID 119649432

IUPAC6-bicyclo[3.1.0]hexanyl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCCN1C(=O)C1C2CCCC21.Cl
InChIInChI=1S/C13H22N2O.ClH/c1-14-8-9-4-3-7-15(9)13(16)12-10-5-2-6-11(10)12;/h9-12,14H,2-8H2,1H3;1H
InChIKeyJNEWREXBLCDSTO-UHFFFAOYSA-N
MW258.79 g/mol
LogP1.66
Rot. Bonds3

About 6-bicyclo[3.1.0]hexanyl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride

6-bicyclo[3.1.0]hexanyl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 119649432) has the molecular formula C13H23ClN2O and a molecular weight of 258.79 g/mol. Its IUPAC name is 6-bicyclo[3.1.0]hexanyl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name6-bicyclo[3.1.0]hexanyl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
PubChem CID119649432
Molecular FormulaC13H23ClN2O
Molecular Weight258.79 g/mol
Exact Mass258.15
IUPAC Name6-bicyclo[3.1.0]hexanyl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCCN1C(=O)C1C2CCCC21.Cl
InChIInChI=1S/C13H22N2O.ClH/c1-14-8-9-4-3-7-15(9)13(16)12-10-5-2-6-11(10)12;/h9-12,14H,2-8H2,1H3;1H
InChIKeyJNEWREXBLCDSTO-UHFFFAOYSA-N
XLogP1.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.79
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bicyclo[3.1.0]hexanyl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride with MolForge

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Related Compounds

[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride
CID 119650863
cyclopent-3-en-1-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 115316381
1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 66569273
[2-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
CID 119261277
[2-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 119261296
tert-butyl N-[[(2R)-1-[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]piperidin-2-yl]methyl]carbamate
CID 97221337
1,4-dithian-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119651810
1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 95037259
1-[2-(methylaminomethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 115316297
2-bicyclo[2.2.1]heptanyl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484137
(1,1-dioxothian-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 104520841
N-cyclopentyl-2-(methylaminomethyl)pyrrolidine-1-carboxamide
CID 115316412

Frequently Asked Questions

What is the IUPAC name of 6-bicyclo[3.1.0]hexanyl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of 6-bicyclo[3.1.0]hexanyl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride (CID 119649432) is 6-bicyclo[3.1.0]hexanyl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for 6-bicyclo[3.1.0]hexanyl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for 6-bicyclo[3.1.0]hexanyl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride is CNCC1CCCN1C(=O)C1C2CCCC21.Cl.
What is the InChIKey of 6-bicyclo[3.1.0]hexanyl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is JNEWREXBLCDSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O.ClH/c1-14-8-9-4-3-7-15(9)13(16)12-10-5-2-6-11(10)12;/h9-12,14H,2-8H2,1H3;1H.
What are the key properties of 6-bicyclo[3.1.0]hexanyl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
6-bicyclo[3.1.0]hexanyl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 258.79 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bicyclo[3.1.0]hexanyl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119649432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).