1-propan-2-yl-2,3-dihydropyrrole

C7H13N — CID 19819183

IUPAC1-propan-2-yl-2,3-dihydropyrrole
SMILESCC(C)N1C=CCC1
InChIInChI=1S/C7H13N/c1-7(2)8-5-3-4-6-8/h3,5,7H,4,6H2,1-2H3
InChIKeyXDNJZEYBRJAZLC-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.61
Rot. Bonds1

About 1-propan-2-yl-2,3-dihydropyrrole

1-propan-2-yl-2,3-dihydropyrrole (PubChem CID 19819183) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 1-propan-2-yl-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-propan-2-yl-2,3-dihydropyrrole
PubChem CID19819183
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name1-propan-2-yl-2,3-dihydropyrrole
SMILESCC(C)N1C=CCC1
InChIInChI=1S/C7H13N/c1-7(2)8-5-3-4-6-8/h3,5,7H,4,6H2,1-2H3
InChIKeyXDNJZEYBRJAZLC-UHFFFAOYSA-N
XLogP1.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-propan-2-yl-2,3-dihydropyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2,3-dihydropyrrole?
The IUPAC name of 1-propan-2-yl-2,3-dihydropyrrole (CID 19819183) is 1-propan-2-yl-2,3-dihydropyrrole.
What is the SMILES notation for 1-propan-2-yl-2,3-dihydropyrrole?
The canonical SMILES for 1-propan-2-yl-2,3-dihydropyrrole is CC(C)N1C=CCC1.
What is the InChIKey of 1-propan-2-yl-2,3-dihydropyrrole?
The InChIKey is XDNJZEYBRJAZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-7(2)8-5-3-4-6-8/h3,5,7H,4,6H2,1-2H3.
What are the key properties of 1-propan-2-yl-2,3-dihydropyrrole?
1-propan-2-yl-2,3-dihydropyrrole has a molecular weight of 111.19 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2,3-dihydropyrrole is sourced from PubChem (CID 19819183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).