ethane;5-methyl-6-propan-2-yl-1H-pyrrolo[3,4-b]pyrrole

C12H20N2 — CID 142433791

IUPACethane;5-methyl-6-propan-2-yl-1H-pyrrolo[3,4-b]pyrrole
SMILESCC.CC(C)c1c2[nH]ccc2cn1C
InChIInChI=1S/C10H14N2.C2H6/c1-7(2)10-9-8(4-5-11-9)6-12(10)3;1-2/h4-7,11H,1-3H3;1-2H3
InChIKeyNAAHJRYMCAJFQG-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.66
Rot. Bonds1

About ethane;5-methyl-6-propan-2-yl-1H-pyrrolo[3,4-b]pyrrole

ethane;5-methyl-6-propan-2-yl-1H-pyrrolo[3,4-b]pyrrole (PubChem CID 142433791) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is ethane;5-methyl-6-propan-2-yl-1H-pyrrolo[3,4-b]pyrrole.

Molecular Properties

Compound Nameethane;5-methyl-6-propan-2-yl-1H-pyrrolo[3,4-b]pyrrole
PubChem CID142433791
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Nameethane;5-methyl-6-propan-2-yl-1H-pyrrolo[3,4-b]pyrrole
SMILESCC.CC(C)c1c2[nH]ccc2cn1C
InChIInChI=1S/C10H14N2.C2H6/c1-7(2)10-9-8(4-5-11-9)6-12(10)3;1-2/h4-7,11H,1-3H3;1-2H3
InChIKeyNAAHJRYMCAJFQG-UHFFFAOYSA-N
XLogP3.66
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-6-propan-2-yl-1H-pyrrolo[3,4-b]pyrrole?
The IUPAC name of ethane;5-methyl-6-propan-2-yl-1H-pyrrolo[3,4-b]pyrrole (CID 142433791) is ethane;5-methyl-6-propan-2-yl-1H-pyrrolo[3,4-b]pyrrole.
What is the SMILES notation for ethane;5-methyl-6-propan-2-yl-1H-pyrrolo[3,4-b]pyrrole?
The canonical SMILES for ethane;5-methyl-6-propan-2-yl-1H-pyrrolo[3,4-b]pyrrole is CC.CC(C)c1c2[nH]ccc2cn1C.
What is the InChIKey of ethane;5-methyl-6-propan-2-yl-1H-pyrrolo[3,4-b]pyrrole?
The InChIKey is NAAHJRYMCAJFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.C2H6/c1-7(2)10-9-8(4-5-11-9)6-12(10)3;1-2/h4-7,11H,1-3H3;1-2H3.
What are the key properties of ethane;5-methyl-6-propan-2-yl-1H-pyrrolo[3,4-b]pyrrole?
ethane;5-methyl-6-propan-2-yl-1H-pyrrolo[3,4-b]pyrrole has a molecular weight of 192.31 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-6-propan-2-yl-1H-pyrrolo[3,4-b]pyrrole is sourced from PubChem (CID 142433791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).