N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1H-pyrrole-2-carboxamide

C13H21N3O — CID 79711342

IUPACN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1H-pyrrole-2-carboxamide
SMILESCC1(C)C(N)C(C)(C)C1NC(=O)c1ccc[nH]1
InChIInChI=1S/C13H21N3O/c1-12(2)10(14)13(3,4)11(12)16-9(17)8-6-5-7-15-8/h5-7,10-11,15H,14H2,1-4H3,(H,16,17)
InChIKeyTZQWDMQJSSPVAH-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.51
Rot. Bonds2

About N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1H-pyrrole-2-carboxamide

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1H-pyrrole-2-carboxamide (PubChem CID 79711342) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1H-pyrrole-2-carboxamide
PubChem CID79711342
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1H-pyrrole-2-carboxamide
SMILESCC1(C)C(N)C(C)(C)C1NC(=O)c1ccc[nH]1
InChIInChI=1S/C13H21N3O/c1-12(2)10(14)13(3,4)11(12)16-9(17)8-6-5-7-15-8/h5-7,10-11,15H,14H2,1-4H3,(H,16,17)
InChIKeyTZQWDMQJSSPVAH-UHFFFAOYSA-N
XLogP1.51
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1H-pyrrole-2-carboxamide (CID 79711342) is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1H-pyrrole-2-carboxamide is CC1(C)C(N)C(C)(C)C1NC(=O)c1ccc[nH]1.
What is the InChIKey of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1H-pyrrole-2-carboxamide?
The InChIKey is TZQWDMQJSSPVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-12(2)10(14)13(3,4)11(12)16-9(17)8-6-5-7-15-8/h5-7,10-11,15H,14H2,1-4H3,(H,16,17).
What are the key properties of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1H-pyrrole-2-carboxamide?
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1H-pyrrole-2-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 79711342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).