5-(8-oxo-5,6,7,9-tetrahydrocarbazol-2-yl)furan-2-carbaldehyde

C17H13NO3 — CID 169335064

IUPAC5-(8-oxo-5,6,7,9-tetrahydrocarbazol-2-yl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc3c4c([nH]c3c2)C(=O)CCC4)o1
InChIInChI=1S/C17H13NO3/c19-9-11-5-7-16(21-11)10-4-6-12-13-2-1-3-15(20)17(13)18-14(12)8-10/h4-9,18H,1-3H2
InChIKeyXRRVOOSVTLZSAG-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.76
Rot. Bonds2

About 5-(8-oxo-5,6,7,9-tetrahydrocarbazol-2-yl)furan-2-carbaldehyde

5-(8-oxo-5,6,7,9-tetrahydrocarbazol-2-yl)furan-2-carbaldehyde (PubChem CID 169335064) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-(8-oxo-5,6,7,9-tetrahydrocarbazol-2-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(8-oxo-5,6,7,9-tetrahydrocarbazol-2-yl)furan-2-carbaldehyde
PubChem CID169335064
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name5-(8-oxo-5,6,7,9-tetrahydrocarbazol-2-yl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc3c4c([nH]c3c2)C(=O)CCC4)o1
InChIInChI=1S/C17H13NO3/c19-9-11-5-7-16(21-11)10-4-6-12-13-2-1-3-15(20)17(13)18-14(12)8-10/h4-9,18H,1-3H2
InChIKeyXRRVOOSVTLZSAG-UHFFFAOYSA-N
XLogP3.76
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(8-oxo-5,6,7,9-tetrahydrocarbazol-2-yl)furan-2-carbaldehyde?
The IUPAC name of 5-(8-oxo-5,6,7,9-tetrahydrocarbazol-2-yl)furan-2-carbaldehyde (CID 169335064) is 5-(8-oxo-5,6,7,9-tetrahydrocarbazol-2-yl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(8-oxo-5,6,7,9-tetrahydrocarbazol-2-yl)furan-2-carbaldehyde?
The canonical SMILES for 5-(8-oxo-5,6,7,9-tetrahydrocarbazol-2-yl)furan-2-carbaldehyde is O=Cc1ccc(-c2ccc3c4c([nH]c3c2)C(=O)CCC4)o1.
What is the InChIKey of 5-(8-oxo-5,6,7,9-tetrahydrocarbazol-2-yl)furan-2-carbaldehyde?
The InChIKey is XRRVOOSVTLZSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c19-9-11-5-7-16(21-11)10-4-6-12-13-2-1-3-15(20)17(13)18-14(12)8-10/h4-9,18H,1-3H2.
What are the key properties of 5-(8-oxo-5,6,7,9-tetrahydrocarbazol-2-yl)furan-2-carbaldehyde?
5-(8-oxo-5,6,7,9-tetrahydrocarbazol-2-yl)furan-2-carbaldehyde has a molecular weight of 279.30 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-oxo-5,6,7,9-tetrahydrocarbazol-2-yl)furan-2-carbaldehyde is sourced from PubChem (CID 169335064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).