1-(9-butyl-6H-phenanthridin-5-yl)ethanone

C19H21NO — CID 24766050

IUPAC1-(9-butyl-6H-phenanthridin-5-yl)ethanone
SMILESCCCCc1ccc2c(c1)-c1ccccc1N(C(C)=O)C2
InChIInChI=1S/C19H21NO/c1-3-4-7-15-10-11-16-13-20(14(2)21)19-9-6-5-8-17(19)18(16)12-15/h5-6,8-12H,3-4,7,13H2,1-2H3
InChIKeyBYIKYAHYIIVLEK-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.56
Rot. Bonds3

About 1-(9-butyl-6H-phenanthridin-5-yl)ethanone

1-(9-butyl-6H-phenanthridin-5-yl)ethanone (PubChem CID 24766050) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(9-butyl-6H-phenanthridin-5-yl)ethanone.

Molecular Properties

Compound Name1-(9-butyl-6H-phenanthridin-5-yl)ethanone
PubChem CID24766050
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1-(9-butyl-6H-phenanthridin-5-yl)ethanone
SMILESCCCCc1ccc2c(c1)-c1ccccc1N(C(C)=O)C2
InChIInChI=1S/C19H21NO/c1-3-4-7-15-10-11-16-13-20(14(2)21)19-9-6-5-8-17(19)18(16)12-15/h5-6,8-12H,3-4,7,13H2,1-2H3
InChIKeyBYIKYAHYIIVLEK-UHFFFAOYSA-N
XLogP4.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(3-hydrazinylidene-2H-indol-1-yl)ethanone
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6H-phenanthridine-5-carbonyl chloride
CID 86183224
ethane;1-(5-ethyl-4-methyl-3-oxa-4,14-diazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-14-yl)ethanone
CID 145012433
bis(2-butylphenyl) 6H-benzo[d][1,3]benzodiazepine-5,7-dicarboxylate
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CID 2801684
2-decyl-9H-fluorene
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Frequently Asked Questions

What is the IUPAC name of 1-(9-butyl-6H-phenanthridin-5-yl)ethanone?
The IUPAC name of 1-(9-butyl-6H-phenanthridin-5-yl)ethanone (CID 24766050) is 1-(9-butyl-6H-phenanthridin-5-yl)ethanone.
What is the SMILES notation for 1-(9-butyl-6H-phenanthridin-5-yl)ethanone?
The canonical SMILES for 1-(9-butyl-6H-phenanthridin-5-yl)ethanone is CCCCc1ccc2c(c1)-c1ccccc1N(C(C)=O)C2.
What is the InChIKey of 1-(9-butyl-6H-phenanthridin-5-yl)ethanone?
The InChIKey is BYIKYAHYIIVLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-3-4-7-15-10-11-16-13-20(14(2)21)19-9-6-5-8-17(19)18(16)12-15/h5-6,8-12H,3-4,7,13H2,1-2H3.
What are the key properties of 1-(9-butyl-6H-phenanthridin-5-yl)ethanone?
1-(9-butyl-6H-phenanthridin-5-yl)ethanone has a molecular weight of 279.38 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-butyl-6H-phenanthridin-5-yl)ethanone is sourced from PubChem (CID 24766050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).