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

C11H18N2O2 — CID 75498993

IUPACN-(1-hydroxy-3-methylpentan-3-yl)-1H-pyrrole-2-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1ccc[nH]1
InChIInChI=1S/C11H18N2O2/c1-3-11(2,6-8-14)13-10(15)9-5-4-7-12-9/h4-5,7,12,14H,3,6,8H2,1-2H3,(H,13,15)
InChIKeySPYWVJQMABAKRA-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.30
Rot. Bonds5

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

N-(1-hydroxy-3-methylpentan-3-yl)-1H-pyrrole-2-carboxamide (PubChem CID 75498993) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)-1H-pyrrole-2-carboxamide
PubChem CID75498993
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)-1H-pyrrole-2-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1ccc[nH]1
InChIInChI=1S/C11H18N2O2/c1-3-11(2,6-8-14)13-10(15)9-5-4-7-12-9/h4-5,7,12,14H,3,6,8H2,1-2H3,(H,13,15)
InChIKeySPYWVJQMABAKRA-UHFFFAOYSA-N
XLogP1.30
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(1H-pyrrole-2-carbonylamino)pentanoic acid
CID 43618481
N-(1-chloro-3-methylpentan-3-yl)-6-oxo-1H-pyridine-2-carboxamide
CID 106168663
N-[(3R)-1-hydroxy-3-methylpentan-3-yl]-1H-indole-6-carboxamide
CID 97340429
2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]benzoic acid
CID 106167893
3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103946097
4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103945880
N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide
CID 86783655
N-(1-hydroxy-3-methylpentan-3-yl)-3-sulfanylbenzamide
CID 114153832
3-hydroxy-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-2-carboxamide
CID 99697185
4-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-1H-indole-3-carboxamide
CID 110002008
N-(2-amino-2-methylpropyl)-1H-pyrrole-2-carboxamide
CID 81483032
2-amino-3-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 106164041

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-1H-pyrrole-2-carboxamide (CID 75498993) is N-(1-hydroxy-3-methylpentan-3-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)-1H-pyrrole-2-carboxamide is CCC(C)(CCO)NC(=O)c1ccc[nH]1.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is SPYWVJQMABAKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-11(2,6-8-14)13-10(15)9-5-4-7-12-9/h4-5,7,12,14H,3,6,8H2,1-2H3,(H,13,15).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)-1H-pyrrole-2-carboxamide?
N-(1-hydroxy-3-methylpentan-3-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 75498993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).