2-(3,4-dihydro-2H-pyrrol-5-yl)ethenamine

C6H10N2 — CID 70629717

IUPAC2-(3,4-dihydro-2H-pyrrol-5-yl)ethenamine
SMILESNC=CC1=NCCC1
InChIInChI=1S/C6H10N2/c7-4-3-6-2-1-5-8-6/h3-4H,1-2,5,7H2
InChIKeyWXEHSHDRSFIBCB-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.69
Rot. Bonds1

About 2-(3,4-dihydro-2H-pyrrol-5-yl)ethenamine

2-(3,4-dihydro-2H-pyrrol-5-yl)ethenamine (PubChem CID 70629717) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyrrol-5-yl)ethenamine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyrrol-5-yl)ethenamine
PubChem CID70629717
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name2-(3,4-dihydro-2H-pyrrol-5-yl)ethenamine
SMILESNC=CC1=NCCC1
InChIInChI=1S/C6H10N2/c7-4-3-6-2-1-5-8-6/h3-4H,1-2,5,7H2
InChIKeyWXEHSHDRSFIBCB-UHFFFAOYSA-N
XLogP0.69
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyrrol-5-yl)ethenamine?
The IUPAC name of 2-(3,4-dihydro-2H-pyrrol-5-yl)ethenamine (CID 70629717) is 2-(3,4-dihydro-2H-pyrrol-5-yl)ethenamine.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyrrol-5-yl)ethenamine?
The canonical SMILES for 2-(3,4-dihydro-2H-pyrrol-5-yl)ethenamine is NC=CC1=NCCC1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyrrol-5-yl)ethenamine?
The InChIKey is WXEHSHDRSFIBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c7-4-3-6-2-1-5-8-6/h3-4H,1-2,5,7H2.
What are the key properties of 2-(3,4-dihydro-2H-pyrrol-5-yl)ethenamine?
2-(3,4-dihydro-2H-pyrrol-5-yl)ethenamine has a molecular weight of 110.16 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyrrol-5-yl)ethenamine is sourced from PubChem (CID 70629717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).