N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,5-dimethylpyrrole-2-carboxamide

C12H17N3O — CID 43594241

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-1,5-dimethylpyrrole-2-carboxamide
SMILESCc1ccc(C(=O)NC2C3CNCC32)n1C
InChIInChI=1S/C12H17N3O/c1-7-3-4-10(15(7)2)12(16)14-11-8-5-13-6-9(8)11/h3-4,8-9,11,13H,5-6H2,1-2H3,(H,14,16)
InChIKeyPLTCTTPVEJCEIE-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.28
Rot. Bonds2

About N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,5-dimethylpyrrole-2-carboxamide

N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,5-dimethylpyrrole-2-carboxamide (PubChem CID 43594241) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,5-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-1,5-dimethylpyrrole-2-carboxamide
PubChem CID43594241
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-1,5-dimethylpyrrole-2-carboxamide
SMILESCc1ccc(C(=O)NC2C3CNCC32)n1C
InChIInChI=1S/C12H17N3O/c1-7-3-4-10(15(7)2)12(16)14-11-8-5-13-6-9(8)11/h3-4,8-9,11,13H,5-6H2,1-2H3,(H,14,16)
InChIKeyPLTCTTPVEJCEIE-UHFFFAOYSA-N
XLogP0.28
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dimethyl-N-[4-(methylamino)cyclohexyl]pyrrole-2-carboxamide
CID 79110293
N-(3-azabicyclo[3.1.0]hexan-6-yl)-1-propylpyrrole-2-carboxamide
CID 43639095
methyl 4-[(1,5-dimethylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 115617249
N-(2-hydroxycycloheptyl)-1,5-dimethylpyrrole-2-carboxamide
CID 113394900
N-[(1R,2R)-2-aminocyclohexyl]-1,5-dimethylpyrrole-2-carboxamide
CID 93452032
N-(2-aminocyclopentyl)-1,5-dimethylpyrrole-2-carboxamide
CID 63251565
cis-(1R,3S)-3-[(1,5-dimethylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320098
1,5-dimethylpyrrole-2-carbohydrazide;hydrochloride
CID 130653632
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-fluoro-4-methylbenzamide
CID 43594335
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-methylfuran-3-carboxamide
CID 43594332
N-[(3-hydroxycyclohexyl)methyl]-1,5-dimethylpyrrole-2-carboxamide
CID 113241315
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-hydroxy-5-methylbenzamide
CID 43594423

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,5-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,5-dimethylpyrrole-2-carboxamide (CID 43594241) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,5-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,5-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,5-dimethylpyrrole-2-carboxamide is Cc1ccc(C(=O)NC2C3CNCC32)n1C.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,5-dimethylpyrrole-2-carboxamide?
The InChIKey is PLTCTTPVEJCEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-7-3-4-10(15(7)2)12(16)14-11-8-5-13-6-9(8)11/h3-4,8-9,11,13H,5-6H2,1-2H3,(H,14,16).
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,5-dimethylpyrrole-2-carboxamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,5-dimethylpyrrole-2-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,5-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 43594241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).