1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyrrole

C8H12N2 — CID 141276527

IUPAC1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyrrole
SMILESC1=CN(C2=NCCC2)CC1
InChIInChI=1S/C8H12N2/c1-2-7-10(6-1)8-4-3-5-9-8/h1,6H,2-5,7H2
InChIKeyJZGBXVNXJGHGNG-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.40
Rot. Bonds

About 1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyrrole

1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyrrole (PubChem CID 141276527) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyrrole
PubChem CID141276527
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyrrole
SMILESC1=CN(C2=NCCC2)CC1
InChIInChI=1S/C8H12N2/c1-2-7-10(6-1)8-4-3-5-9-8/h1,6H,2-5,7H2
InChIKeyJZGBXVNXJGHGNG-UHFFFAOYSA-N
XLogP1.40
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyrrole?
The IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyrrole (CID 141276527) is 1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyrrole.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyrrole?
The canonical SMILES for 1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyrrole is C1=CN(C2=NCCC2)CC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyrrole?
The InChIKey is JZGBXVNXJGHGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-7-10(6-1)8-4-3-5-9-8/h1,6H,2-5,7H2.
What are the key properties of 1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyrrole?
1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyrrole has a molecular weight of 136.20 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyrrole is sourced from PubChem (CID 141276527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).