7-bicyclo[4.1.0]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride

C14H25ClN2O — CID 119540418

IUPAC7-bicyclo[4.1.0]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCN(C(=O)C2C3CCCCC32)C1.Cl
InChIInChI=1S/C14H24N2O.ClH/c1-15-8-10-6-7-16(9-10)14(17)13-11-4-2-3-5-12(11)13;/h10-13,15H,2-9H2,1H3;1H
InChIKeyKBLBQLHCFPONRP-UHFFFAOYSA-N
MW272.82 g/mol
LogP1.91
Rot. Bonds3

About 7-bicyclo[4.1.0]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride

7-bicyclo[4.1.0]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 119540418) has the molecular formula C14H25ClN2O and a molecular weight of 272.82 g/mol. Its IUPAC name is 7-bicyclo[4.1.0]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name7-bicyclo[4.1.0]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
PubChem CID119540418
Molecular FormulaC14H25ClN2O
Molecular Weight272.82 g/mol
Exact Mass272.17
IUPAC Name7-bicyclo[4.1.0]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCN(C(=O)C2C3CCCCC32)C1.Cl
InChIInChI=1S/C14H24N2O.ClH/c1-15-8-10-6-7-16(9-10)14(17)13-11-4-2-3-5-12(11)13;/h10-13,15H,2-9H2,1H3;1H
InChIKeyKBLBQLHCFPONRP-UHFFFAOYSA-N
XLogP1.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.82
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bicyclo[4.1.0]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81478563
cyclopentyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538344
cyclohexyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63264265
[3-(aminomethyl)pyrrolidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride
CID 119485245
7-bicyclo[4.1.0]heptanyl-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 113340532
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398426
[3-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
CID 119260605
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 65023448
[3-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 63263865
2,2-difluoro-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 103514154
azepan-1-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 79152654
[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone
CID 97100937

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.1.0]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of 7-bicyclo[4.1.0]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride (CID 119540418) is 7-bicyclo[4.1.0]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for 7-bicyclo[4.1.0]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for 7-bicyclo[4.1.0]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride is CNCC1CCN(C(=O)C2C3CCCCC32)C1.Cl.
What is the InChIKey of 7-bicyclo[4.1.0]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is KBLBQLHCFPONRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O.ClH/c1-15-8-10-6-7-16(9-10)14(17)13-11-4-2-3-5-12(11)13;/h10-13,15H,2-9H2,1H3;1H.
What are the key properties of 7-bicyclo[4.1.0]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
7-bicyclo[4.1.0]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 272.82 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.1.0]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119540418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).