2-propan-2-yl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrol-3-one

C10H15NO2 — CID 58540461

IUPAC2-propan-2-yl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrol-3-one
SMILESCC(C)N1CC2=C(COCC2)C1=O
InChIInChI=1S/C10H15NO2/c1-7(2)11-5-8-3-4-13-6-9(8)10(11)12/h7H,3-6H2,1-2H3
InChIKeyNCCTXRKYNWIZSN-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.95
Rot. Bonds1

About 2-propan-2-yl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrol-3-one

2-propan-2-yl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrol-3-one (PubChem CID 58540461) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-propan-2-yl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrol-3-one.

Molecular Properties

Compound Name2-propan-2-yl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrol-3-one
PubChem CID58540461
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-propan-2-yl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrol-3-one
SMILESCC(C)N1CC2=C(COCC2)C1=O
InChIInChI=1S/C10H15NO2/c1-7(2)11-5-8-3-4-13-6-9(8)10(11)12/h7H,3-6H2,1-2H3
InChIKeyNCCTXRKYNWIZSN-UHFFFAOYSA-N
XLogP0.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrol-3-one?
The IUPAC name of 2-propan-2-yl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrol-3-one (CID 58540461) is 2-propan-2-yl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrol-3-one.
What is the SMILES notation for 2-propan-2-yl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrol-3-one?
The canonical SMILES for 2-propan-2-yl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrol-3-one is CC(C)N1CC2=C(COCC2)C1=O.
What is the InChIKey of 2-propan-2-yl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrol-3-one?
The InChIKey is NCCTXRKYNWIZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7(2)11-5-8-3-4-13-6-9(8)10(11)12/h7H,3-6H2,1-2H3.
What are the key properties of 2-propan-2-yl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrol-3-one?
2-propan-2-yl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrol-3-one has a molecular weight of 181.23 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrol-3-one is sourced from PubChem (CID 58540461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).