1-(2-hydroxy-1-prop-2-enylcarbazol-9-yl)ethanone

C17H15NO2 — CID 86190312

IUPAC1-(2-hydroxy-1-prop-2-enylcarbazol-9-yl)ethanone
SMILESC=CCc1c(O)ccc2c3ccccc3n(C(C)=O)c12
InChIInChI=1S/C17H15NO2/c1-3-6-14-16(20)10-9-13-12-7-4-5-8-15(12)18(11(2)19)17(13)14/h3-5,7-10,20H,1,6H2,2H3
InChIKeyXVGRXKWUXQQCSF-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.89
Rot. Bonds2

About 1-(2-hydroxy-1-prop-2-enylcarbazol-9-yl)ethanone

1-(2-hydroxy-1-prop-2-enylcarbazol-9-yl)ethanone (PubChem CID 86190312) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(2-hydroxy-1-prop-2-enylcarbazol-9-yl)ethanone.

Molecular Properties

Compound Name1-(2-hydroxy-1-prop-2-enylcarbazol-9-yl)ethanone
PubChem CID86190312
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name1-(2-hydroxy-1-prop-2-enylcarbazol-9-yl)ethanone
SMILESC=CCc1c(O)ccc2c3ccccc3n(C(C)=O)c12
InChIInChI=1S/C17H15NO2/c1-3-6-14-16(20)10-9-13-12-7-4-5-8-15(12)18(11(2)19)17(13)14/h3-5,7-10,20H,1,6H2,2H3
InChIKeyXVGRXKWUXQQCSF-UHFFFAOYSA-N
XLogP3.89
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Harmalol
CID 3565
4-Hydroxycarbazole
CID 104251
2-Hydroxycarbazole
CID 93551
Phenol, 4,4'-indole-2,3-diyldi-
CID 201385
3-Methyl-1-(3-methyl-2-buten-1-yl)-9H-carbazol-2-ol
CID 5209
3-methyl-9H-carbazol-2-ol
CID 3459141
Murrayanol
CID 9975970
11-methyl-6,11-dihydro-5H-benzo[a]carbazol-9-ol
CID 44411876
Harmalol hydrochloride dihydrate
CID 135403649
1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-7-ol;hydrate;hydrochloride
CID 135624201
Euchrestine B
CID 15060943
Mahanimbilol
CID 5353739

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1-prop-2-enylcarbazol-9-yl)ethanone?
The IUPAC name of 1-(2-hydroxy-1-prop-2-enylcarbazol-9-yl)ethanone (CID 86190312) is 1-(2-hydroxy-1-prop-2-enylcarbazol-9-yl)ethanone.
What is the SMILES notation for 1-(2-hydroxy-1-prop-2-enylcarbazol-9-yl)ethanone?
The canonical SMILES for 1-(2-hydroxy-1-prop-2-enylcarbazol-9-yl)ethanone is C=CCc1c(O)ccc2c3ccccc3n(C(C)=O)c12.
What is the InChIKey of 1-(2-hydroxy-1-prop-2-enylcarbazol-9-yl)ethanone?
The InChIKey is XVGRXKWUXQQCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-3-6-14-16(20)10-9-13-12-7-4-5-8-15(12)18(11(2)19)17(13)14/h3-5,7-10,20H,1,6H2,2H3.
What are the key properties of 1-(2-hydroxy-1-prop-2-enylcarbazol-9-yl)ethanone?
1-(2-hydroxy-1-prop-2-enylcarbazol-9-yl)ethanone has a molecular weight of 265.31 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1-prop-2-enylcarbazol-9-yl)ethanone is sourced from PubChem (CID 86190312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).