1,2,3,4a-tetrahydrocarbazol-4-one

C12H11NO — CID 11788686

IUPAC1,2,3,4a-tetrahydrocarbazol-4-one
SMILESO=C1CCCC2=Nc3ccccc3C12
InChIInChI=1S/C12H11NO/c14-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13-10/h1-2,4-5,12H,3,6-7H2
InChIKeyYFKXQMXBWPYZHU-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.61
Rot. Bonds

About 1,2,3,4a-tetrahydrocarbazol-4-one

1,2,3,4a-tetrahydrocarbazol-4-one (PubChem CID 11788686) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 1,2,3,4a-tetrahydrocarbazol-4-one.

Molecular Properties

Compound Name1,2,3,4a-tetrahydrocarbazol-4-one
PubChem CID11788686
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name1,2,3,4a-tetrahydrocarbazol-4-one
SMILESO=C1CCCC2=Nc3ccccc3C12
InChIInChI=1S/C12H11NO/c14-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13-10/h1-2,4-5,12H,3,6-7H2
InChIKeyYFKXQMXBWPYZHU-UHFFFAOYSA-N
XLogP2.61
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4a-tetrahydrocarbazol-4-one?
The IUPAC name of 1,2,3,4a-tetrahydrocarbazol-4-one (CID 11788686) is 1,2,3,4a-tetrahydrocarbazol-4-one.
What is the SMILES notation for 1,2,3,4a-tetrahydrocarbazol-4-one?
The canonical SMILES for 1,2,3,4a-tetrahydrocarbazol-4-one is O=C1CCCC2=Nc3ccccc3C12.
What is the InChIKey of 1,2,3,4a-tetrahydrocarbazol-4-one?
The InChIKey is YFKXQMXBWPYZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c14-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13-10/h1-2,4-5,12H,3,6-7H2.
What are the key properties of 1,2,3,4a-tetrahydrocarbazol-4-one?
1,2,3,4a-tetrahydrocarbazol-4-one has a molecular weight of 185.23 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4a-tetrahydrocarbazol-4-one is sourced from PubChem (CID 11788686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).