N-(1-hydroxy-3,3-dimethylbutan-2-yl)-1H-pyrrole-2-carboxamide

C11H18N2O2 — CID 42628305

IUPACN-(1-hydroxy-3,3-dimethylbutan-2-yl)-1H-pyrrole-2-carboxamide
SMILESCC(C)(C)C(CO)NC(=O)c1ccc[nH]1
InChIInChI=1S/C11H18N2O2/c1-11(2,3)9(7-14)13-10(15)8-5-4-6-12-8/h4-6,9,12,14H,7H2,1-3H3,(H,13,15)
InChIKeyZPTOCHXTGFKVRD-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.15
Rot. Bonds3

About N-(1-hydroxy-3,3-dimethylbutan-2-yl)-1H-pyrrole-2-carboxamide

N-(1-hydroxy-3,3-dimethylbutan-2-yl)-1H-pyrrole-2-carboxamide (PubChem CID 42628305) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-(1-hydroxy-3,3-dimethylbutan-2-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3,3-dimethylbutan-2-yl)-1H-pyrrole-2-carboxamide
PubChem CID42628305
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-(1-hydroxy-3,3-dimethylbutan-2-yl)-1H-pyrrole-2-carboxamide
SMILESCC(C)(C)C(CO)NC(=O)c1ccc[nH]1
InChIInChI=1S/C11H18N2O2/c1-11(2,3)9(7-14)13-10(15)8-5-4-6-12-8/h4-6,9,12,14H,7H2,1-3H3,(H,13,15)
InChIKeyZPTOCHXTGFKVRD-UHFFFAOYSA-N
XLogP1.15
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3,3-dimethylbutan-2-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(1-hydroxy-3,3-dimethylbutan-2-yl)-1H-pyrrole-2-carboxamide (CID 42628305) is N-(1-hydroxy-3,3-dimethylbutan-2-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3,3-dimethylbutan-2-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(1-hydroxy-3,3-dimethylbutan-2-yl)-1H-pyrrole-2-carboxamide is CC(C)(C)C(CO)NC(=O)c1ccc[nH]1.
What is the InChIKey of N-(1-hydroxy-3,3-dimethylbutan-2-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is ZPTOCHXTGFKVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-11(2,3)9(7-14)13-10(15)8-5-4-6-12-8/h4-6,9,12,14H,7H2,1-3H3,(H,13,15).
What are the key properties of N-(1-hydroxy-3,3-dimethylbutan-2-yl)-1H-pyrrole-2-carboxamide?
N-(1-hydroxy-3,3-dimethylbutan-2-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3,3-dimethylbutan-2-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 42628305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).