5-(9H-carbazol-1-yl)pentane-2,3-dione

C17H15NO2 — CID 142696076

IUPAC5-(9H-carbazol-1-yl)pentane-2,3-dione
SMILESCC(=O)C(=O)CCc1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C17H15NO2/c1-11(19)16(20)10-9-12-5-4-7-14-13-6-2-3-8-15(13)18-17(12)14/h2-8,18H,9-10H2,1H3
InChIKeyPPSMHFNCBIHWGQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.41
Rot. Bonds4

About 5-(9H-carbazol-1-yl)pentane-2,3-dione

5-(9H-carbazol-1-yl)pentane-2,3-dione (PubChem CID 142696076) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-(9H-carbazol-1-yl)pentane-2,3-dione.

Molecular Properties

Compound Name5-(9H-carbazol-1-yl)pentane-2,3-dione
PubChem CID142696076
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name5-(9H-carbazol-1-yl)pentane-2,3-dione
SMILESCC(=O)C(=O)CCc1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C17H15NO2/c1-11(19)16(20)10-9-12-5-4-7-14-13-6-2-3-8-15(13)18-17(12)14/h2-8,18H,9-10H2,1H3
InChIKeyPPSMHFNCBIHWGQ-UHFFFAOYSA-N
XLogP3.41
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-butyl-9H-carbazole;phosphane;hydrate
CID 174715058
9H-carbazol-1-ylmethanol
CID 10987211
1-nonyl-9H-carbazole
CID 66872642
2-[2-(9H-carbazol-1-yl)ethyl]pentanedioic acid
CID 67896134
1-but-3-ynyl-9H-carbazole
CID 173036439
3-(9H-carbazol-1-yl)propyl prop-2-enoate
CID 18766698
2-[2-(9H-carbazol-1-yl)ethyl]undecan-1-ol
CID 164577577
2-(1-methyl-9H-carbazol-2-yl)acetic acid
CID 54249777
1-(9H-carbazol-1-yl)heptan-1-one
CID 174653122
1-(6-phenoxyhexyl)-9H-carbazole
CID 141296820
1-(9H-carbazol-1-yl)-3-phenylpropan-1-one
CID 2793732
ethyl 9H-carbazol-1-ylmethanesulfonate
CID 174896621

Frequently Asked Questions

What is the IUPAC name of 5-(9H-carbazol-1-yl)pentane-2,3-dione?
The IUPAC name of 5-(9H-carbazol-1-yl)pentane-2,3-dione (CID 142696076) is 5-(9H-carbazol-1-yl)pentane-2,3-dione.
What is the SMILES notation for 5-(9H-carbazol-1-yl)pentane-2,3-dione?
The canonical SMILES for 5-(9H-carbazol-1-yl)pentane-2,3-dione is CC(=O)C(=O)CCc1cccc2c1[nH]c1ccccc12.
What is the InChIKey of 5-(9H-carbazol-1-yl)pentane-2,3-dione?
The InChIKey is PPSMHFNCBIHWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-11(19)16(20)10-9-12-5-4-7-14-13-6-2-3-8-15(13)18-17(12)14/h2-8,18H,9-10H2,1H3.
What are the key properties of 5-(9H-carbazol-1-yl)pentane-2,3-dione?
5-(9H-carbazol-1-yl)pentane-2,3-dione has a molecular weight of 265.31 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9H-carbazol-1-yl)pentane-2,3-dione is sourced from PubChem (CID 142696076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).