(Z)-3-(5-methyl-1H-indol-2-yl)prop-2-enamide

C12H12N2O — CID 170878076

IUPAC(Z)-3-(5-methyl-1H-indol-2-yl)prop-2-enamide
SMILESCc1ccc2[nH]c(/C=C\C(N)=O)cc2c1
InChIInChI=1S/C12H12N2O/c1-8-2-4-11-9(6-8)7-10(14-11)3-5-12(13)15/h2-7,14H,1H3,(H2,13,15)/b5-3-
InChIKeyOOWAQRCPCWFLMB-HYXAFXHYSA-N
MW200.24 g/mol
LogP1.97
Rot. Bonds2

About (Z)-3-(5-methyl-1H-indol-2-yl)prop-2-enamide

(Z)-3-(5-methyl-1H-indol-2-yl)prop-2-enamide (PubChem CID 170878076) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is (Z)-3-(5-methyl-1H-indol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(5-methyl-1H-indol-2-yl)prop-2-enamide
PubChem CID170878076
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name(Z)-3-(5-methyl-1H-indol-2-yl)prop-2-enamide
SMILESCc1ccc2[nH]c(/C=C\C(N)=O)cc2c1
InChIInChI=1S/C12H12N2O/c1-8-2-4-11-9(6-8)7-10(14-11)3-5-12(13)15/h2-7,14H,1H3,(H2,13,15)/b5-3-
InChIKeyOOWAQRCPCWFLMB-HYXAFXHYSA-N
XLogP1.97
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(5-methyl-1H-indol-2-yl)prop-2-enamide?
The IUPAC name of (Z)-3-(5-methyl-1H-indol-2-yl)prop-2-enamide (CID 170878076) is (Z)-3-(5-methyl-1H-indol-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(5-methyl-1H-indol-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-3-(5-methyl-1H-indol-2-yl)prop-2-enamide is Cc1ccc2[nH]c(/C=C\C(N)=O)cc2c1.
What is the InChIKey of (Z)-3-(5-methyl-1H-indol-2-yl)prop-2-enamide?
The InChIKey is OOWAQRCPCWFLMB-HYXAFXHYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-8-2-4-11-9(6-8)7-10(14-11)3-5-12(13)15/h2-7,14H,1H3,(H2,13,15)/b5-3-.
What are the key properties of (Z)-3-(5-methyl-1H-indol-2-yl)prop-2-enamide?
(Z)-3-(5-methyl-1H-indol-2-yl)prop-2-enamide has a molecular weight of 200.24 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(5-methyl-1H-indol-2-yl)prop-2-enamide is sourced from PubChem (CID 170878076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).