1,2,3a,4-tetrahydropyrrolo[1,2-a]indol-3-one

C11H11NO — CID 167313251

IUPAC1,2,3a,4-tetrahydropyrrolo[1,2-a]indol-3-one
SMILESO=C1CCN2c3ccccc3CC12
InChIInChI=1S/C11H11NO/c13-11-5-6-12-9-4-2-1-3-8(9)7-10(11)12/h1-4,10H,5-7H2
InChIKeyRMZMACFIEHWXAS-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.39
Rot. Bonds

About 1,2,3a,4-tetrahydropyrrolo[1,2-a]indol-3-one

1,2,3a,4-tetrahydropyrrolo[1,2-a]indol-3-one (PubChem CID 167313251) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 1,2,3a,4-tetrahydropyrrolo[1,2-a]indol-3-one.

Molecular Properties

Compound Name1,2,3a,4-tetrahydropyrrolo[1,2-a]indol-3-one
PubChem CID167313251
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name1,2,3a,4-tetrahydropyrrolo[1,2-a]indol-3-one
SMILESO=C1CCN2c3ccccc3CC12
InChIInChI=1S/C11H11NO/c13-11-5-6-12-9-4-2-1-3-8(9)7-10(11)12/h1-4,10H,5-7H2
InChIKeyRMZMACFIEHWXAS-UHFFFAOYSA-N
XLogP1.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3a,4-tetrahydropyrrolo[1,2-a]indol-3-one?
The IUPAC name of 1,2,3a,4-tetrahydropyrrolo[1,2-a]indol-3-one (CID 167313251) is 1,2,3a,4-tetrahydropyrrolo[1,2-a]indol-3-one.
What is the SMILES notation for 1,2,3a,4-tetrahydropyrrolo[1,2-a]indol-3-one?
The canonical SMILES for 1,2,3a,4-tetrahydropyrrolo[1,2-a]indol-3-one is O=C1CCN2c3ccccc3CC12.
What is the InChIKey of 1,2,3a,4-tetrahydropyrrolo[1,2-a]indol-3-one?
The InChIKey is RMZMACFIEHWXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c13-11-5-6-12-9-4-2-1-3-8(9)7-10(11)12/h1-4,10H,5-7H2.
What are the key properties of 1,2,3a,4-tetrahydropyrrolo[1,2-a]indol-3-one?
1,2,3a,4-tetrahydropyrrolo[1,2-a]indol-3-one has a molecular weight of 173.22 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3a,4-tetrahydropyrrolo[1,2-a]indol-3-one is sourced from PubChem (CID 167313251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).