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

C10H25N — CID 91064793

IUPAC3,4-dihydro-2H-pyrrole;ethane
SMILESC1=NCCC1.CC.CC.CC
InChIInChI=1S/C4H7N.3C2H6/c1-2-4-5-3-1;3*1-2/h3H,1-2,4H2;3*1-2H3
InChIKeyYFYUODAGZIXLLO-UHFFFAOYSA-N
MW159.32 g/mol
LogP3.93
Rot. Bonds

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

3,4-dihydro-2H-pyrrole;ethane (PubChem CID 91064793) has the molecular formula C10H25N and a molecular weight of 159.32 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrrole;ethane.

Molecular Properties

Compound Name3,4-dihydro-2H-pyrrole;ethane
PubChem CID91064793
Molecular FormulaC10H25N
Molecular Weight159.32 g/mol
Exact Mass159.20
IUPAC Name3,4-dihydro-2H-pyrrole;ethane
SMILESC1=NCCC1.CC.CC.CC
InChIInChI=1S/C4H7N.3C2H6/c1-2-4-5-3-1;3*1-2/h3H,1-2,4H2;3*1-2H3
InChIKeyYFYUODAGZIXLLO-UHFFFAOYSA-N
XLogP3.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.32
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-Butanamine, N-pentylidene-
CID 545363
1-Propanamine, N-butylidene-2-methyl-
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1-Hexanamine, N-hexylidene-
CID 11126932
N-hexylbutan-1-imine
CID 10374662
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CID 11953759
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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 91064793) 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.CC.
What is the InChIKey of 3,4-dihydro-2H-pyrrole;ethane?
The InChIKey is YFYUODAGZIXLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N.3C2H6/c1-2-4-5-3-1;3*1-2/h3H,1-2,4H2;3*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 159.32 g/mol, XLogP of 3.93, 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 91064793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).