1-(1-ethyl-3-methylindol-4-yl)propan-2-one

C14H17NO — CID 117204377

IUPAC1-(1-ethyl-3-methylindol-4-yl)propan-2-one
SMILESCCn1cc(C)c2c(CC(C)=O)cccc21
InChIInChI=1S/C14H17NO/c1-4-15-9-10(2)14-12(8-11(3)16)6-5-7-13(14)15/h5-7,9H,4,8H2,1-3H3
InChIKeyLKYJJLKMHYQDFK-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.10
Rot. Bonds3

About 1-(1-ethyl-3-methylindol-4-yl)propan-2-one

1-(1-ethyl-3-methylindol-4-yl)propan-2-one (PubChem CID 117204377) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(1-ethyl-3-methylindol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-ethyl-3-methylindol-4-yl)propan-2-one
PubChem CID117204377
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-(1-ethyl-3-methylindol-4-yl)propan-2-one
SMILESCCn1cc(C)c2c(CC(C)=O)cccc21
InChIInChI=1S/C14H17NO/c1-4-15-9-10(2)14-12(8-11(3)16)6-5-7-13(14)15/h5-7,9H,4,8H2,1-3H3
InChIKeyLKYJJLKMHYQDFK-UHFFFAOYSA-N
XLogP3.10
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-ethyl-3-methylindol-4-yl)-2-methylpropanoic acid
CID 117204516
O-[(1-ethyl-3-methylindol-4-yl)methyl]hydroxylamine
CID 117204415
1-(1-ethyl-4-methylindol-3-yl)ethanone
CID 117119610
1-(3-bromo-1-methylindazol-4-yl)propan-2-one
CID 83902578
1-(1-ethylindol-7-yl)propan-2-one
CID 115106501
1-[1-ethyl-4-(trifluoromethyl)indol-3-yl]ethanone
CID 117119559
3-[(1-ethyl-4-methylindol-3-yl)methoxy]phenol
CID 117184653
1-(7-bromo-1-ethylindol-3-yl)propan-2-one
CID 117197654
1-(5-bromo-1-ethylindol-3-yl)propan-2-one
CID 117195591
1-(5-methylnaphthalen-1-yl)propan-2-one
CID 59096635
1-(2-chloro-3-methylphenyl)propan-2-one
CID 67126230
2-[2-methyl-3-(2-oxopropyl)phenyl]acetic acid
CID 134620938

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3-methylindol-4-yl)propan-2-one?
The IUPAC name of 1-(1-ethyl-3-methylindol-4-yl)propan-2-one (CID 117204377) is 1-(1-ethyl-3-methylindol-4-yl)propan-2-one.
What is the SMILES notation for 1-(1-ethyl-3-methylindol-4-yl)propan-2-one?
The canonical SMILES for 1-(1-ethyl-3-methylindol-4-yl)propan-2-one is CCn1cc(C)c2c(CC(C)=O)cccc21.
What is the InChIKey of 1-(1-ethyl-3-methylindol-4-yl)propan-2-one?
The InChIKey is LKYJJLKMHYQDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-4-15-9-10(2)14-12(8-11(3)16)6-5-7-13(14)15/h5-7,9H,4,8H2,1-3H3.
What are the key properties of 1-(1-ethyl-3-methylindol-4-yl)propan-2-one?
1-(1-ethyl-3-methylindol-4-yl)propan-2-one has a molecular weight of 215.30 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3-methylindol-4-yl)propan-2-one is sourced from PubChem (CID 117204377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).