1-methyl-7a-propan-2-yl-3a,4,6,7-tetrahydro-3H-pyrano[4,3-b]pyrrol-2-one

C11H19NO2 — CID 167428061

IUPAC1-methyl-7a-propan-2-yl-3a,4,6,7-tetrahydro-3H-pyrano[4,3-b]pyrrol-2-one
SMILESCC(C)C12CCOCC1CC(=O)N2C
InChIInChI=1S/C11H19NO2/c1-8(2)11-4-5-14-7-9(11)6-10(13)12(11)3/h8-9H,4-7H2,1-3H3
InChIKeyOUEZAIQBNUXVRA-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.28
Rot. Bonds1

About 1-methyl-7a-propan-2-yl-3a,4,6,7-tetrahydro-3H-pyrano[4,3-b]pyrrol-2-one

1-methyl-7a-propan-2-yl-3a,4,6,7-tetrahydro-3H-pyrano[4,3-b]pyrrol-2-one (PubChem CID 167428061) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-methyl-7a-propan-2-yl-3a,4,6,7-tetrahydro-3H-pyrano[4,3-b]pyrrol-2-one.

Molecular Properties

Compound Name1-methyl-7a-propan-2-yl-3a,4,6,7-tetrahydro-3H-pyrano[4,3-b]pyrrol-2-one
PubChem CID167428061
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-methyl-7a-propan-2-yl-3a,4,6,7-tetrahydro-3H-pyrano[4,3-b]pyrrol-2-one
SMILESCC(C)C12CCOCC1CC(=O)N2C
InChIInChI=1S/C11H19NO2/c1-8(2)11-4-5-14-7-9(11)6-10(13)12(11)3/h8-9H,4-7H2,1-3H3
InChIKeyOUEZAIQBNUXVRA-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7a-propan-2-yl-3a,4,6,7-tetrahydro-3H-pyrano[4,3-b]pyrrol-2-one?
The IUPAC name of 1-methyl-7a-propan-2-yl-3a,4,6,7-tetrahydro-3H-pyrano[4,3-b]pyrrol-2-one (CID 167428061) is 1-methyl-7a-propan-2-yl-3a,4,6,7-tetrahydro-3H-pyrano[4,3-b]pyrrol-2-one.
What is the SMILES notation for 1-methyl-7a-propan-2-yl-3a,4,6,7-tetrahydro-3H-pyrano[4,3-b]pyrrol-2-one?
The canonical SMILES for 1-methyl-7a-propan-2-yl-3a,4,6,7-tetrahydro-3H-pyrano[4,3-b]pyrrol-2-one is CC(C)C12CCOCC1CC(=O)N2C.
What is the InChIKey of 1-methyl-7a-propan-2-yl-3a,4,6,7-tetrahydro-3H-pyrano[4,3-b]pyrrol-2-one?
The InChIKey is OUEZAIQBNUXVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(2)11-4-5-14-7-9(11)6-10(13)12(11)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-methyl-7a-propan-2-yl-3a,4,6,7-tetrahydro-3H-pyrano[4,3-b]pyrrol-2-one?
1-methyl-7a-propan-2-yl-3a,4,6,7-tetrahydro-3H-pyrano[4,3-b]pyrrol-2-one has a molecular weight of 197.28 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7a-propan-2-yl-3a,4,6,7-tetrahydro-3H-pyrano[4,3-b]pyrrol-2-one is sourced from PubChem (CID 167428061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).