N-[(1-methylpyrrolidin-2-yl)methyl]bicyclo[3.1.0]hexane-3-carboxamide

C13H22N2O — CID 106022346

IUPACN-[(1-methylpyrrolidin-2-yl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
SMILESCN1CCCC1CNC(=O)C1CC2CC2C1
InChIInChI=1S/C13H22N2O/c1-15-4-2-3-12(15)8-14-13(16)11-6-9-5-10(9)7-11/h9-12H,2-8H2,1H3,(H,14,16)
InChIKeyOAJGVVSHIIARTE-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.24
Rot. Bonds3

About N-[(1-methylpyrrolidin-2-yl)methyl]bicyclo[3.1.0]hexane-3-carboxamide

N-[(1-methylpyrrolidin-2-yl)methyl]bicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 106022346) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-2-yl)methyl]bicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-2-yl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
PubChem CID106022346
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[(1-methylpyrrolidin-2-yl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
SMILESCN1CCCC1CNC(=O)C1CC2CC2C1
InChIInChI=1S/C13H22N2O/c1-15-4-2-3-12(15)8-14-13(16)11-6-9-5-10(9)7-11/h9-12H,2-8H2,1H3,(H,14,16)
InChIKeyOAJGVVSHIIARTE-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,3R)-3-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106019178
5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide
CID 106026289
6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide
CID 106026312
methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 116655199
3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]propanoic acid
CID 106021158
N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-2-carboxamide
CID 103630206
1-amino-N-[(1-methylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 103814042
3-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 106019321
(2S)-2-amino-N-[(1-methylpiperidin-2-yl)methyl]butanamide
CID 79023299
3-amino-3-hydroxyimino-N-[(1-methylpiperidin-2-yl)methyl]propanamide
CID 76930279
4-hydroxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119860703
3-amino-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexane-1-carboxamide
CID 114138626

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]bicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]bicyclo[3.1.0]hexane-3-carboxamide (CID 106022346) is N-[(1-methylpyrrolidin-2-yl)methyl]bicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-[(1-methylpyrrolidin-2-yl)methyl]bicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-[(1-methylpyrrolidin-2-yl)methyl]bicyclo[3.1.0]hexane-3-carboxamide is CN1CCCC1CNC(=O)C1CC2CC2C1.
What is the InChIKey of N-[(1-methylpyrrolidin-2-yl)methyl]bicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is OAJGVVSHIIARTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-15-4-2-3-12(15)8-14-13(16)11-6-9-5-10(9)7-11/h9-12H,2-8H2,1H3,(H,14,16).
What are the key properties of N-[(1-methylpyrrolidin-2-yl)methyl]bicyclo[3.1.0]hexane-3-carboxamide?
N-[(1-methylpyrrolidin-2-yl)methyl]bicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-2-yl)methyl]bicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 106022346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).