1-(3H-benzo[e]indol-1-yl)ethanone

C14H11NO — CID 170857784

IUPAC1-(3H-benzo[e]indol-1-yl)ethanone
SMILESCC(=O)c1c[nH]c2ccc3ccccc3c12
InChIInChI=1S/C14H11NO/c1-9(16)12-8-15-13-7-6-10-4-2-3-5-11(10)14(12)13/h2-8,15H,1H3
InChIKeyUNIBPBHYTITHLR-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.52
Rot. Bonds1

About 1-(3H-benzo[e]indol-1-yl)ethanone

1-(3H-benzo[e]indol-1-yl)ethanone (PubChem CID 170857784) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-(3H-benzo[e]indol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3H-benzo[e]indol-1-yl)ethanone
PubChem CID170857784
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name1-(3H-benzo[e]indol-1-yl)ethanone
SMILESCC(=O)c1c[nH]c2ccc3ccccc3c12
InChIInChI=1S/C14H11NO/c1-9(16)12-8-15-13-7-6-10-4-2-3-5-11(10)14(12)13/h2-8,15H,1H3
InChIKeyUNIBPBHYTITHLR-UHFFFAOYSA-N
XLogP3.52
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3H-benzo[e]indol-1-ol
CID 69001321
1-(6-acetyl-3H-pyrrolo[2,3-c]carbazol-1-yl)ethanone
CID 12664561
1-(4,5-dimethyl-1H-indol-3-yl)ethanone
CID 82405420
1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium
CID 174557605
1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium;trichloride
CID 174494917
2-(2-acetylnaphthalen-1-yl)acetic acid
CID 69135276
1-(4-phenylmethoxy-1H-indol-3-yl)ethanone
CID 158905078
13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one
CID 14612598
1-[6-(naphthalen-1-ylsulfanylamino)-1H-indol-3-yl]ethanone
CID 143179773
1H-benzo[g]indole-3-carboxylic acid
CID 12505804
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148
N-[(2,4-diaminoquinazolin-7-yl)methyl]-3H-benzo[e]indole-1-carboxamide
CID 172623034

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzo[e]indol-1-yl)ethanone?
The IUPAC name of 1-(3H-benzo[e]indol-1-yl)ethanone (CID 170857784) is 1-(3H-benzo[e]indol-1-yl)ethanone.
What is the SMILES notation for 1-(3H-benzo[e]indol-1-yl)ethanone?
The canonical SMILES for 1-(3H-benzo[e]indol-1-yl)ethanone is CC(=O)c1c[nH]c2ccc3ccccc3c12.
What is the InChIKey of 1-(3H-benzo[e]indol-1-yl)ethanone?
The InChIKey is UNIBPBHYTITHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c1-9(16)12-8-15-13-7-6-10-4-2-3-5-11(10)14(12)13/h2-8,15H,1H3.
What are the key properties of 1-(3H-benzo[e]indol-1-yl)ethanone?
1-(3H-benzo[e]indol-1-yl)ethanone has a molecular weight of 209.25 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzo[e]indol-1-yl)ethanone is sourced from PubChem (CID 170857784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).