4,5,6,7-tetrahydrocarbazol-3-one

C12H11NO — CID 67429212

IUPAC4,5,6,7-tetrahydrocarbazol-3-one
SMILESO=C1C=CC2=NC3=CCCCC3=C2C1
InChIInChI=1S/C12H11NO/c14-8-5-6-12-10(7-8)9-3-1-2-4-11(9)13-12/h4-6H,1-3,7H2
InChIKeyMPJGAAITRCRTTN-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.33
Rot. Bonds

About 4,5,6,7-tetrahydrocarbazol-3-one

4,5,6,7-tetrahydrocarbazol-3-one (PubChem CID 67429212) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 4,5,6,7-tetrahydrocarbazol-3-one.

Molecular Properties

Compound Name4,5,6,7-tetrahydrocarbazol-3-one
PubChem CID67429212
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name4,5,6,7-tetrahydrocarbazol-3-one
SMILESO=C1C=CC2=NC3=CCCCC3=C2C1
InChIInChI=1S/C12H11NO/c14-8-5-6-12-10(7-8)9-3-1-2-4-11(9)13-12/h4-6H,1-3,7H2
InChIKeyMPJGAAITRCRTTN-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydrocarbazol-3-one?
The IUPAC name of 4,5,6,7-tetrahydrocarbazol-3-one (CID 67429212) is 4,5,6,7-tetrahydrocarbazol-3-one.
What is the SMILES notation for 4,5,6,7-tetrahydrocarbazol-3-one?
The canonical SMILES for 4,5,6,7-tetrahydrocarbazol-3-one is O=C1C=CC2=NC3=CCCCC3=C2C1.
What is the InChIKey of 4,5,6,7-tetrahydrocarbazol-3-one?
The InChIKey is MPJGAAITRCRTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c14-8-5-6-12-10(7-8)9-3-1-2-4-11(9)13-12/h4-6H,1-3,7H2.
What are the key properties of 4,5,6,7-tetrahydrocarbazol-3-one?
4,5,6,7-tetrahydrocarbazol-3-one has a molecular weight of 185.23 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydrocarbazol-3-one is sourced from PubChem (CID 67429212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).