5-carbazol-9-yl-4-hydroxypent-1-en-3-one

C17H15NO2 — CID 174669018

IUPAC5-carbazol-9-yl-4-hydroxypent-1-en-3-one
SMILESC=CC(=O)C(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C17H15NO2/c1-2-16(19)17(20)11-18-14-9-5-3-7-12(14)13-8-4-6-10-15(13)18/h2-10,17,20H,1,11H2
InChIKeyXSGOQTSKDXKQBU-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.91
Rot. Bonds4

About 5-carbazol-9-yl-4-hydroxypent-1-en-3-one

5-carbazol-9-yl-4-hydroxypent-1-en-3-one (PubChem CID 174669018) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-carbazol-9-yl-4-hydroxypent-1-en-3-one.

Molecular Properties

Compound Name5-carbazol-9-yl-4-hydroxypent-1-en-3-one
PubChem CID174669018
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name5-carbazol-9-yl-4-hydroxypent-1-en-3-one
SMILESC=CC(=O)C(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C17H15NO2/c1-2-16(19)17(20)11-18-14-9-5-3-7-12(14)13-8-4-6-10-15(13)18/h2-10,17,20H,1,11H2
InChIKeyXSGOQTSKDXKQBU-UHFFFAOYSA-N
XLogP2.91
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

carbazol-9-ylmethyl propanoate
CID 122502701
4-hydroxy-5-naphthalen-1-yloxypent-1-en-3-one
CID 70402211
9-(2,2-difluoroethyl)carbazole
CID 162535518
[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium
CID 910212
2-(3-carbazol-9-yl-2-hydroxypropyl)isoindole-1,3-dione
CID 2851792
2-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]isoindole-1,3-dione
CID 991448
(2R)-3-carbazol-9-yl-2-methylpropan-1-ol
CID 54249395
3-carbazol-9-yl-2-fluoropropan-1-amine
CID 83854127
2-amino-3-carbazol-9-ylpropan-1-ol
CID 64810076
[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-methylazanium
CID 2138697
[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-dimethylazanium
CID 6577414
3-ethenyl-9-(2-methylbutyl)carbazole
CID 69233320

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-4-hydroxypent-1-en-3-one?
The IUPAC name of 5-carbazol-9-yl-4-hydroxypent-1-en-3-one (CID 174669018) is 5-carbazol-9-yl-4-hydroxypent-1-en-3-one.
What is the SMILES notation for 5-carbazol-9-yl-4-hydroxypent-1-en-3-one?
The canonical SMILES for 5-carbazol-9-yl-4-hydroxypent-1-en-3-one is C=CC(=O)C(O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 5-carbazol-9-yl-4-hydroxypent-1-en-3-one?
The InChIKey is XSGOQTSKDXKQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-2-16(19)17(20)11-18-14-9-5-3-7-12(14)13-8-4-6-10-15(13)18/h2-10,17,20H,1,11H2.
What are the key properties of 5-carbazol-9-yl-4-hydroxypent-1-en-3-one?
5-carbazol-9-yl-4-hydroxypent-1-en-3-one has a molecular weight of 265.31 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-4-hydroxypent-1-en-3-one is sourced from PubChem (CID 174669018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).