N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide

C10H14N2O2 — CID 3674521

IUPACN-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc[nH]1
InChIInChI=1S/C10H14N2O2/c13-10(9-4-1-5-11-9)12-7-8-3-2-6-14-8/h1,4-5,8,11H,2-3,6-7H2,(H,12,13)
InChIKeyLKMLGZWPERYNLQ-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.92
Rot. Bonds3

About N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide

N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 3674521) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID3674521
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC NameN-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc[nH]1
InChIInChI=1S/C10H14N2O2/c13-10(9-4-1-5-11-9)12-7-8-3-2-6-14-8/h1,4-5,8,11H,2-3,6-7H2,(H,12,13)
InChIKeyLKMLGZWPERYNLQ-UHFFFAOYSA-N
XLogP0.92
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1H-pyrrole-2-carboxamide
CID 573553
N-phenyl-1H-pyrrole-2-carboxamide
CID 899774
N-propargyl-1H-pyrrole-2-carboxamide
CID 16110305
N-methyl-N-(prop-2-yn-1-yl)-1H-pyrrole-2-carboxamide
CID 11008237
(2S)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-(1H-pyrrol-2-ylformamido)butanamide
CID 25093407
4-(cyclohexylcarbonyl)-N-(tetrahydro-2-furanylmethyl)-1H-pyrrole-2-carboxamide
CID 2766018
N-(tetrahydro-2-furanylmethyl)-2-pyridinecarboxamide
CID 2964204
1H-Pyrrole-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 10878782
N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(tetrahydrofuran-2-ylmethyl)pyridine-2-carboxamide
CID 3239666
4-propionyl-N-(tetrahydro-2-furanylmethyl)-1H-pyrrole-2-carboxamide
CID 3737337
4-(3-methylbutanoyl)-N-(tetrahydro-2-furanylmethyl)-1H-pyrrole-2-carboxamide
CID 4421152
(1S,4R)-2-oxa-3-azabicyclo[2.2.1]hept-5-en-3-yl(1H-pyrrol-2-yl)methanone
CID 44825463

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide (CID 3674521) is N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide is O=C(NCC1CCCO1)c1ccc[nH]1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is LKMLGZWPERYNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-10(9-4-1-5-11-9)12-7-8-3-2-6-14-8/h1,4-5,8,11H,2-3,6-7H2,(H,12,13).
What are the key properties of N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 194.23 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 3674521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).