N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-1H-pyrrole-3-carboxamide

C11H18N2O2 — CID 111831410

IUPACN-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C11H18N2O2/c1-8-9(5-6-12-8)10(14)13(4)7-11(2,3)15/h5-6,12,15H,7H2,1-4H3
InChIKeyJKUMNQPZCRLAKN-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.17
Rot. Bonds3

About N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-1H-pyrrole-3-carboxamide

N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 111831410) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-1H-pyrrole-3-carboxamide
PubChem CID111831410
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C11H18N2O2/c1-8-9(5-6-12-8)10(14)13(4)7-11(2,3)15/h5-6,12,15H,7H2,1-4H3
InChIKeyJKUMNQPZCRLAKN-UHFFFAOYSA-N
XLogP1.17
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-1H-pyrrole-3-carboxamide (CID 111831410) is N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-1H-pyrrole-3-carboxamide is Cc1[nH]ccc1C(=O)N(C)CC(C)(C)O.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-1H-pyrrole-3-carboxamide?
The InChIKey is JKUMNQPZCRLAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8-9(5-6-12-8)10(14)13(4)7-11(2,3)15/h5-6,12,15H,7H2,1-4H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-1H-pyrrole-3-carboxamide?
N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 111831410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).