(2-ethyl-3-methylidene-2H-indol-1-yl)-phenylmethanone

C18H17NO — CID 11587010

IUPAC(2-ethyl-3-methylidene-2H-indol-1-yl)-phenylmethanone
SMILESC=C1c2ccccc2N(C(=O)c2ccccc2)C1CC
InChIInChI=1S/C18H17NO/c1-3-16-13(2)15-11-7-8-12-17(15)19(16)18(20)14-9-5-4-6-10-14/h4-12,16H,2-3H2,1H3
InChIKeyKKMBGSURGSTNJR-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.14
Rot. Bonds2

About (2-ethyl-3-methylidene-2H-indol-1-yl)-phenylmethanone

(2-ethyl-3-methylidene-2H-indol-1-yl)-phenylmethanone (PubChem CID 11587010) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is (2-ethyl-3-methylidene-2H-indol-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-ethyl-3-methylidene-2H-indol-1-yl)-phenylmethanone
PubChem CID11587010
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name(2-ethyl-3-methylidene-2H-indol-1-yl)-phenylmethanone
SMILESC=C1c2ccccc2N(C(=O)c2ccccc2)C1CC
InChIInChI=1S/C18H17NO/c1-3-16-13(2)15-11-7-8-12-17(15)19(16)18(20)14-9-5-4-6-10-14/h4-12,16H,2-3H2,1H3
InChIKeyKKMBGSURGSTNJR-UHFFFAOYSA-N
XLogP4.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 6403566
(6R)-7-benzoyl-6-ethyl-3-methylsulfanyl-2,6-dihydro-[1,2,4]triazino[1,6-c]quinazolin-5-ium-1-one
CID 137189159
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
(2Z)-2-(4-benzoyl-3-butyl-1,3-dihydroquinoxalin-2-ylidene)-1-phenylethanone
CID 15915023
1-acetyl-5-benzoyl-3-methyl-4H-pyrrolo[3,2-c]quinoline-4-carbonitrile
CID 15380328
(2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)-phenylmethanone
CID 10515904
ethane;2-methyl-1-(4-phenoxybenzoyl)-2,3-dihydroquinolin-4-one
CID 142989768
(2S)-1-benzoyl-2-(3-chlorophenyl)-2H-3,1-benzoxazin-4-one
CID 1049886
2-(4-benzoyl-2,3-dihydro-1,4-benzoxazin-3-yl)butanoic acid
CID 57375085
1-(2,4-diethyl-2H-quinolin-1-yl)ethanone
CID 126493211
methyl 2-(5-benzoyl-10-methyl-4H-pyrrolo[1,2-b][1,2,5]benzotriazepin-4-yl)acetate
CID 15633466

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-3-methylidene-2H-indol-1-yl)-phenylmethanone?
The IUPAC name of (2-ethyl-3-methylidene-2H-indol-1-yl)-phenylmethanone (CID 11587010) is (2-ethyl-3-methylidene-2H-indol-1-yl)-phenylmethanone.
What is the SMILES notation for (2-ethyl-3-methylidene-2H-indol-1-yl)-phenylmethanone?
The canonical SMILES for (2-ethyl-3-methylidene-2H-indol-1-yl)-phenylmethanone is C=C1c2ccccc2N(C(=O)c2ccccc2)C1CC.
What is the InChIKey of (2-ethyl-3-methylidene-2H-indol-1-yl)-phenylmethanone?
The InChIKey is KKMBGSURGSTNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-3-16-13(2)15-11-7-8-12-17(15)19(16)18(20)14-9-5-4-6-10-14/h4-12,16H,2-3H2,1H3.
What are the key properties of (2-ethyl-3-methylidene-2H-indol-1-yl)-phenylmethanone?
(2-ethyl-3-methylidene-2H-indol-1-yl)-phenylmethanone has a molecular weight of 263.34 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-3-methylidene-2H-indol-1-yl)-phenylmethanone is sourced from PubChem (CID 11587010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).