2-[1-(oxolan-2-ylmethyl)pyrrol-3-yl]ethanamine

C11H18N2O — CID 66406650

IUPAC2-[1-(oxolan-2-ylmethyl)pyrrol-3-yl]ethanamine
SMILESNCCc1ccn(CC2CCCO2)c1
InChIInChI=1S/C11H18N2O/c12-5-3-10-4-6-13(8-10)9-11-2-1-7-14-11/h4,6,8,11H,1-3,5,7,9,12H2
InChIKeyAUGRWCGJFGKABK-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.17
Rot. Bonds4

About 2-[1-(oxolan-2-ylmethyl)pyrrol-3-yl]ethanamine

2-[1-(oxolan-2-ylmethyl)pyrrol-3-yl]ethanamine (PubChem CID 66406650) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-[1-(oxolan-2-ylmethyl)pyrrol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(oxolan-2-ylmethyl)pyrrol-3-yl]ethanamine
PubChem CID66406650
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-[1-(oxolan-2-ylmethyl)pyrrol-3-yl]ethanamine
SMILESNCCc1ccn(CC2CCCO2)c1
InChIInChI=1S/C11H18N2O/c12-5-3-10-4-6-13(8-10)9-11-2-1-7-14-11/h4,6,8,11H,1-3,5,7,9,12H2
InChIKeyAUGRWCGJFGKABK-UHFFFAOYSA-N
XLogP1.17
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxolan-2-ylmethyl)pyrrol-3-yl]ethanamine?
The IUPAC name of 2-[1-(oxolan-2-ylmethyl)pyrrol-3-yl]ethanamine (CID 66406650) is 2-[1-(oxolan-2-ylmethyl)pyrrol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(oxolan-2-ylmethyl)pyrrol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(oxolan-2-ylmethyl)pyrrol-3-yl]ethanamine is NCCc1ccn(CC2CCCO2)c1.
What is the InChIKey of 2-[1-(oxolan-2-ylmethyl)pyrrol-3-yl]ethanamine?
The InChIKey is AUGRWCGJFGKABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c12-5-3-10-4-6-13(8-10)9-11-2-1-7-14-11/h4,6,8,11H,1-3,5,7,9,12H2.
What are the key properties of 2-[1-(oxolan-2-ylmethyl)pyrrol-3-yl]ethanamine?
2-[1-(oxolan-2-ylmethyl)pyrrol-3-yl]ethanamine has a molecular weight of 194.28 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxolan-2-ylmethyl)pyrrol-3-yl]ethanamine is sourced from PubChem (CID 66406650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).