3,4,4a,9-tetrahydrocarbazol-2-one

C12H11NO — CID 69236363

IUPAC3,4,4a,9-tetrahydrocarbazol-2-one
SMILESO=C1C=C2Nc3ccccc3C2CC1
InChIInChI=1S/C12H11NO/c14-8-5-6-10-9-3-1-2-4-11(9)13-12(10)7-8/h1-4,7,10,13H,5-6H2
InChIKeySRLXYXCLXKOFMA-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.44
Rot. Bonds

About 3,4,4a,9-tetrahydrocarbazol-2-one

3,4,4a,9-tetrahydrocarbazol-2-one (PubChem CID 69236363) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 3,4,4a,9-tetrahydrocarbazol-2-one.

Molecular Properties

Compound Name3,4,4a,9-tetrahydrocarbazol-2-one
PubChem CID69236363
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name3,4,4a,9-tetrahydrocarbazol-2-one
SMILESO=C1C=C2Nc3ccccc3C2CC1
InChIInChI=1S/C12H11NO/c14-8-5-6-10-9-3-1-2-4-11(9)13-12(10)7-8/h1-4,7,10,13H,5-6H2
InChIKeySRLXYXCLXKOFMA-UHFFFAOYSA-N
XLogP2.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,4a,9-tetrahydrocarbazol-2-one?
The IUPAC name of 3,4,4a,9-tetrahydrocarbazol-2-one (CID 69236363) is 3,4,4a,9-tetrahydrocarbazol-2-one.
What is the SMILES notation for 3,4,4a,9-tetrahydrocarbazol-2-one?
The canonical SMILES for 3,4,4a,9-tetrahydrocarbazol-2-one is O=C1C=C2Nc3ccccc3C2CC1.
What is the InChIKey of 3,4,4a,9-tetrahydrocarbazol-2-one?
The InChIKey is SRLXYXCLXKOFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c14-8-5-6-10-9-3-1-2-4-11(9)13-12(10)7-8/h1-4,7,10,13H,5-6H2.
What are the key properties of 3,4,4a,9-tetrahydrocarbazol-2-one?
3,4,4a,9-tetrahydrocarbazol-2-one has a molecular weight of 185.23 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,9-tetrahydrocarbazol-2-one is sourced from PubChem (CID 69236363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).