(E)-1-(5-methylindol-1-yl)-3-phenylprop-2-en-1-one

C18H15NO — CID 56677168

IUPAC(E)-1-(5-methylindol-1-yl)-3-phenylprop-2-en-1-one
SMILESCc1ccc2c(ccn2C(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C18H15NO/c1-14-7-9-17-16(13-14)11-12-19(17)18(20)10-8-15-5-3-2-4-6-15/h2-13H,1H3/b10-8+
InChIKeyPJEWZZZYWTXFCL-CSKARUKUSA-N
MW261.32 g/mol
LogP4.30
Rot. Bonds2

About (E)-1-(5-methylindol-1-yl)-3-phenylprop-2-en-1-one

(E)-1-(5-methylindol-1-yl)-3-phenylprop-2-en-1-one (PubChem CID 56677168) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is (E)-1-(5-methylindol-1-yl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(5-methylindol-1-yl)-3-phenylprop-2-en-1-one
PubChem CID56677168
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name(E)-1-(5-methylindol-1-yl)-3-phenylprop-2-en-1-one
SMILESCc1ccc2c(ccn2C(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C18H15NO/c1-14-7-9-17-16(13-14)11-12-19(17)18(20)10-8-15-5-3-2-4-6-15/h2-13H,1H3/b10-8+
InChIKeyPJEWZZZYWTXFCL-CSKARUKUSA-N
XLogP4.30
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(5-methylindol-1-yl)prop-2-en-1-one
CID 134938352
(E)-1-(5-(125I)iodoindol-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 56680479
(E)-1-(6-methylbenzimidazol-1-yl)-3-phenylprop-2-en-1-one
CID 122387047
(E)-1-(5-chloroindol-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 56683799
(E)-4-indol-1-yl-4-oxobut-2-enoic acid
CID 1201177
(E)-4-(5-fluoroindol-1-yl)-4-oxobut-2-enoic acid
CID 83971044
(1E,4E)-1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one
CID 6175900
(Z)-1-(2,4-dimethylphenyl)-3-phenylprop-2-en-1-one
CID 92908631
(E)-1-(5-methoxy-2,3-dimethylindol-1-yl)-3-phenylprop-2-en-1-one
CID 142885299
3-(5-methylindol-1-yl)-1-phenylpropan-1-one
CID 116691935
(E)-3-(6-methylnaphthalen-2-yl)prop-2-enoic acid
CID 116866093
(E)-3-(1-phenylindol-5-yl)prop-2-enoic acid
CID 68517943

Frequently Asked Questions

What is the IUPAC name of (E)-1-(5-methylindol-1-yl)-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-(5-methylindol-1-yl)-3-phenylprop-2-en-1-one (CID 56677168) is (E)-1-(5-methylindol-1-yl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(5-methylindol-1-yl)-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-(5-methylindol-1-yl)-3-phenylprop-2-en-1-one is Cc1ccc2c(ccn2C(=O)/C=C/c2ccccc2)c1.
What is the InChIKey of (E)-1-(5-methylindol-1-yl)-3-phenylprop-2-en-1-one?
The InChIKey is PJEWZZZYWTXFCL-CSKARUKUSA-N. The full InChI is InChI=1S/C18H15NO/c1-14-7-9-17-16(13-14)11-12-19(17)18(20)10-8-15-5-3-2-4-6-15/h2-13H,1H3/b10-8+.
What are the key properties of (E)-1-(5-methylindol-1-yl)-3-phenylprop-2-en-1-one?
(E)-1-(5-methylindol-1-yl)-3-phenylprop-2-en-1-one has a molecular weight of 261.32 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(5-methylindol-1-yl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 56677168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).