[5-(aminomethyl)-1H-pyrrol-3-yl]-(oxolan-2-yl)methanone

C10H14N2O2 — CID 82505229

IUPAC[5-(aminomethyl)-1H-pyrrol-3-yl]-(oxolan-2-yl)methanone
SMILESNCc1cc(C(=O)C2CCCO2)c[nH]1
InChIInChI=1S/C10H14N2O2/c11-5-8-4-7(6-12-8)10(13)9-2-1-3-14-9/h4,6,9,12H,1-3,5,11H2
InChIKeyJITZLMPQCMASST-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.84
Rot. Bonds3

About [5-(aminomethyl)-1H-pyrrol-3-yl]-(oxolan-2-yl)methanone

[5-(aminomethyl)-1H-pyrrol-3-yl]-(oxolan-2-yl)methanone (PubChem CID 82505229) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is [5-(aminomethyl)-1H-pyrrol-3-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[5-(aminomethyl)-1H-pyrrol-3-yl]-(oxolan-2-yl)methanone
PubChem CID82505229
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name[5-(aminomethyl)-1H-pyrrol-3-yl]-(oxolan-2-yl)methanone
SMILESNCc1cc(C(=O)C2CCCO2)c[nH]1
InChIInChI=1S/C10H14N2O2/c11-5-8-4-7(6-12-8)10(13)9-2-1-3-14-9/h4,6,9,12H,1-3,5,11H2
InChIKeyJITZLMPQCMASST-UHFFFAOYSA-N
XLogP0.84
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(oxolane-2-carbonyl)-1H-pyrrole-2-carboxylic acid
CID 43162006
(3,5-difluorophenyl)-(oxan-2-yl)methanone
CID 114970560
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(oxolan-2-yl)methanone
CID 43340552
(4-tert-butylphenyl)-(oxolan-2-yl)methanone
CID 43160044
oxolan-2-yl-(2,4,6-trimethylphenyl)methanone
CID 43159907
(5-fluoro-1H-indol-3-yl)-(oxolan-2-yl)methanone
CID 63839972
(5-chloro-1H-indol-3-yl)-(oxolan-2-yl)methanone
CID 63879050
1,3-dihydro-2-benzofuran-5-yl(oxan-2-yl)methanone
CID 63021604
(4-hydroxyphenyl)-(oxan-2-yl)methanone
CID 67839565
5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one
CID 43160614
N-[4-(oxolane-2-carbonyl)phenyl]acetamide
CID 43160165
(4-bromothiophen-3-yl)-(oxolan-2-yl)methanone
CID 79596386

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-1H-pyrrol-3-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [5-(aminomethyl)-1H-pyrrol-3-yl]-(oxolan-2-yl)methanone (CID 82505229) is [5-(aminomethyl)-1H-pyrrol-3-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [5-(aminomethyl)-1H-pyrrol-3-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [5-(aminomethyl)-1H-pyrrol-3-yl]-(oxolan-2-yl)methanone is NCc1cc(C(=O)C2CCCO2)c[nH]1.
What is the InChIKey of [5-(aminomethyl)-1H-pyrrol-3-yl]-(oxolan-2-yl)methanone?
The InChIKey is JITZLMPQCMASST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c11-5-8-4-7(6-12-8)10(13)9-2-1-3-14-9/h4,6,9,12H,1-3,5,11H2.
What are the key properties of [5-(aminomethyl)-1H-pyrrol-3-yl]-(oxolan-2-yl)methanone?
[5-(aminomethyl)-1H-pyrrol-3-yl]-(oxolan-2-yl)methanone has a molecular weight of 194.23 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-1H-pyrrol-3-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 82505229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).