(6S)-6-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C9H14N2 — CID 89432900

IUPAC(6S)-6-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCC(C)[C@@H]1Cc2nccn2C1
InChIInChI=1S/C9H14N2/c1-7(2)8-5-9-10-3-4-11(9)6-8/h3-4,7-8H,5-6H2,1-2H3/t8-/m1/s1
InChIKeyIUOCLXGCCVTBEZ-MRVPVSSYSA-N
MW150.22 g/mol
LogP1.71
Rot. Bonds1

About (6S)-6-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

(6S)-6-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 89432900) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (6S)-6-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name(6S)-6-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID89432900
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(6S)-6-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCC(C)[C@@H]1Cc2nccn2C1
InChIInChI=1S/C9H14N2/c1-7(2)8-5-9-10-3-4-11(9)6-8/h3-4,7-8H,5-6H2,1-2H3/t8-/m1/s1
InChIKeyIUOCLXGCCVTBEZ-MRVPVSSYSA-N
XLogP1.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of (6S)-6-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 89432900) is (6S)-6-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for (6S)-6-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for (6S)-6-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is CC(C)[C@@H]1Cc2nccn2C1.
What is the InChIKey of (6S)-6-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is IUOCLXGCCVTBEZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7(2)8-5-9-10-3-4-11(9)6-8/h3-4,7-8H,5-6H2,1-2H3/t8-/m1/s1.
What are the key properties of (6S)-6-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
(6S)-6-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 150.22 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 89432900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).