3-propan-2-yl-3,4-dihydro-2H-pyrrole

C7H13N — CID 58473812

IUPAC3-propan-2-yl-3,4-dihydro-2H-pyrrole
SMILESCC(C)C1CC=NC1
InChIInChI=1S/C7H13N/c1-6(2)7-3-4-8-5-7/h4,6-7H,3,5H2,1-2H3
InChIKeyVBQVIABJZWDXIM-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.73
Rot. Bonds1

About 3-propan-2-yl-3,4-dihydro-2H-pyrrole

3-propan-2-yl-3,4-dihydro-2H-pyrrole (PubChem CID 58473812) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 3-propan-2-yl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name3-propan-2-yl-3,4-dihydro-2H-pyrrole
PubChem CID58473812
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name3-propan-2-yl-3,4-dihydro-2H-pyrrole
SMILESCC(C)C1CC=NC1
InChIInChI=1S/C7H13N/c1-6(2)7-3-4-8-5-7/h4,6-7H,3,5H2,1-2H3
InChIKeyVBQVIABJZWDXIM-UHFFFAOYSA-N
XLogP1.73
TPSA12.36 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 ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 3-propan-2-yl-3,4-dihydro-2H-pyrrole (CID 58473812) is 3-propan-2-yl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 3-propan-2-yl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 3-propan-2-yl-3,4-dihydro-2H-pyrrole is CC(C)C1CC=NC1.
What is the InChIKey of 3-propan-2-yl-3,4-dihydro-2H-pyrrole?
The InChIKey is VBQVIABJZWDXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-6(2)7-3-4-8-5-7/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 3-propan-2-yl-3,4-dihydro-2H-pyrrole?
3-propan-2-yl-3,4-dihydro-2H-pyrrole has a molecular weight of 111.19 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 58473812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).