3,4-dihydro-2H-pyrrole;ethane

C8H19N — CID 91272137

IUPAC3,4-dihydro-2H-pyrrole;ethane
SMILESC1=NCCC1.CC.CC
InChIInChI=1S/C4H7N.2C2H6/c1-2-4-5-3-1;2*1-2/h3H,1-2,4H2;2*1-2H3
InChIKeyILYGQEDVKZGDLB-UHFFFAOYSA-N
MW129.25 g/mol
LogP2.90
Rot. Bonds

About 3,4-dihydro-2H-pyrrole;ethane

3,4-dihydro-2H-pyrrole;ethane (PubChem CID 91272137) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrrole;ethane.

Molecular Properties

Compound Name3,4-dihydro-2H-pyrrole;ethane
PubChem CID91272137
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC Name3,4-dihydro-2H-pyrrole;ethane
SMILESC1=NCCC1.CC.CC
InChIInChI=1S/C4H7N.2C2H6/c1-2-4-5-3-1;2*1-2/h3H,1-2,4H2;2*1-2H3
InChIKeyILYGQEDVKZGDLB-UHFFFAOYSA-N
XLogP2.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-Hexanamine, N-hexylidene-
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N-hexylbutan-1-imine
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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyrrole;ethane?
The IUPAC name of 3,4-dihydro-2H-pyrrole;ethane (CID 91272137) is 3,4-dihydro-2H-pyrrole;ethane.
What is the SMILES notation for 3,4-dihydro-2H-pyrrole;ethane?
The canonical SMILES for 3,4-dihydro-2H-pyrrole;ethane is C1=NCCC1.CC.CC.
What is the InChIKey of 3,4-dihydro-2H-pyrrole;ethane?
The InChIKey is ILYGQEDVKZGDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N.2C2H6/c1-2-4-5-3-1;2*1-2/h3H,1-2,4H2;2*1-2H3.
What are the key properties of 3,4-dihydro-2H-pyrrole;ethane?
3,4-dihydro-2H-pyrrole;ethane has a molecular weight of 129.25 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyrrole;ethane is sourced from PubChem (CID 91272137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).