5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole

C8H13N3 — CID 58798983

IUPAC5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole
SMILESCC(C)N1Cc2nc[nH]c2C1
InChIInChI=1S/C8H13N3/c1-6(2)11-3-7-8(4-11)10-5-9-7/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyWSVAGFCWGYTXAB-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.13
Rot. Bonds1

About 5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole

5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole (PubChem CID 58798983) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole
PubChem CID58798983
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole
SMILESCC(C)N1Cc2nc[nH]c2C1
InChIInChI=1S/C8H13N3/c1-6(2)11-3-7-8(4-11)10-5-9-7/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyWSVAGFCWGYTXAB-UHFFFAOYSA-N
XLogP1.13
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole?
The IUPAC name of 5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole (CID 58798983) is 5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole.
What is the SMILES notation for 5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole?
The canonical SMILES for 5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole is CC(C)N1Cc2nc[nH]c2C1.
What is the InChIKey of 5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole?
The InChIKey is WSVAGFCWGYTXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-6(2)11-3-7-8(4-11)10-5-9-7/h5-6H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole?
5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole has a molecular weight of 151.21 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole is sourced from PubChem (CID 58798983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).