1-(9-butylcarbazol-3-yl)ethanone

C18H19NO — CID 613854

IUPAC1-(9-butylcarbazol-3-yl)ethanone
SMILESCCCCn1c2ccccc2c2cc(C(C)=O)ccc21
InChIInChI=1S/C18H19NO/c1-3-4-11-19-17-8-6-5-7-15(17)16-12-14(13(2)20)9-10-18(16)19/h5-10,12H,3-4,11H2,1-2H3
InChIKeyICOLUFIBXHLRIK-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.80
Rot. Bonds4

About 1-(9-butylcarbazol-3-yl)ethanone

1-(9-butylcarbazol-3-yl)ethanone (PubChem CID 613854) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(9-butylcarbazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(9-butylcarbazol-3-yl)ethanone
PubChem CID613854
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1-(9-butylcarbazol-3-yl)ethanone
SMILESCCCCn1c2ccccc2c2cc(C(C)=O)ccc21
InChIInChI=1S/C18H19NO/c1-3-4-11-19-17-8-6-5-7-15(17)16-12-14(13(2)20)9-10-18(16)19/h5-10,12H,3-4,11H2,1-2H3
InChIKeyICOLUFIBXHLRIK-UHFFFAOYSA-N
XLogP4.80
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(9-butylcarbazol-3-yl)ethanone?
The IUPAC name of 1-(9-butylcarbazol-3-yl)ethanone (CID 613854) is 1-(9-butylcarbazol-3-yl)ethanone.
What is the SMILES notation for 1-(9-butylcarbazol-3-yl)ethanone?
The canonical SMILES for 1-(9-butylcarbazol-3-yl)ethanone is CCCCn1c2ccccc2c2cc(C(C)=O)ccc21.
What is the InChIKey of 1-(9-butylcarbazol-3-yl)ethanone?
The InChIKey is ICOLUFIBXHLRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-3-4-11-19-17-8-6-5-7-15(17)16-12-14(13(2)20)9-10-18(16)19/h5-10,12H,3-4,11H2,1-2H3.
What are the key properties of 1-(9-butylcarbazol-3-yl)ethanone?
1-(9-butylcarbazol-3-yl)ethanone has a molecular weight of 265.36 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-butylcarbazol-3-yl)ethanone is sourced from PubChem (CID 613854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).