(3aR,4R,8bR)-4-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one

C12H13NO — CID 14911500

IUPAC(3aR,4R,8bR)-4-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one
SMILESC[C@H]1c2ccccc2[C@@H]2NC(=O)C[C@H]12
InChIInChI=1S/C12H13NO/c1-7-8-4-2-3-5-9(8)12-10(7)6-11(14)13-12/h2-5,7,10,12H,6H2,1H3,(H,13,14)/t7-,10+,12-/m0/s1
InChIKeyRCFYMTBPDVHWCP-KOLSJAJHSA-N
MW187.24 g/mol
LogP1.98
Rot. Bonds

About (3aR,4R,8bR)-4-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one

(3aR,4R,8bR)-4-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one (PubChem CID 14911500) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is (3aR,4R,8bR)-4-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one.

Molecular Properties

Compound Name(3aR,4R,8bR)-4-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one
PubChem CID14911500
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name(3aR,4R,8bR)-4-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one
SMILESC[C@H]1c2ccccc2[C@@H]2NC(=O)C[C@H]12
InChIInChI=1S/C12H13NO/c1-7-8-4-2-3-5-9(8)12-10(7)6-11(14)13-12/h2-5,7,10,12H,6H2,1H3,(H,13,14)/t7-,10+,12-/m0/s1
InChIKeyRCFYMTBPDVHWCP-KOLSJAJHSA-N
XLogP1.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3aR,4R,8bR)-4-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one?
The IUPAC name of (3aR,4R,8bR)-4-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one (CID 14911500) is (3aR,4R,8bR)-4-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one.
What is the SMILES notation for (3aR,4R,8bR)-4-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one?
The canonical SMILES for (3aR,4R,8bR)-4-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one is C[C@H]1c2ccccc2[C@@H]2NC(=O)C[C@H]12.
What is the InChIKey of (3aR,4R,8bR)-4-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one?
The InChIKey is RCFYMTBPDVHWCP-KOLSJAJHSA-N. The full InChI is InChI=1S/C12H13NO/c1-7-8-4-2-3-5-9(8)12-10(7)6-11(14)13-12/h2-5,7,10,12H,6H2,1H3,(H,13,14)/t7-,10+,12-/m0/s1.
What are the key properties of (3aR,4R,8bR)-4-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one?
(3aR,4R,8bR)-4-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one has a molecular weight of 187.24 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,8bR)-4-methyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one is sourced from PubChem (CID 14911500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).