(Z)-3-(6-methyl-1H-indol-3-yl)prop-2-enamide

C12H12N2O — CID 170876576

IUPAC(Z)-3-(6-methyl-1H-indol-3-yl)prop-2-enamide
SMILESCc1ccc2c(/C=C\C(N)=O)c[nH]c2c1
InChIInChI=1S/C12H12N2O/c1-8-2-4-10-9(3-5-12(13)15)7-14-11(10)6-8/h2-7,14H,1H3,(H2,13,15)/b5-3-
InChIKeyQSMOLEFOYWABAI-HYXAFXHYSA-N
MW200.24 g/mol
LogP1.97
Rot. Bonds2

About (Z)-3-(6-methyl-1H-indol-3-yl)prop-2-enamide

(Z)-3-(6-methyl-1H-indol-3-yl)prop-2-enamide (PubChem CID 170876576) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is (Z)-3-(6-methyl-1H-indol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(6-methyl-1H-indol-3-yl)prop-2-enamide
PubChem CID170876576
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name(Z)-3-(6-methyl-1H-indol-3-yl)prop-2-enamide
SMILESCc1ccc2c(/C=C\C(N)=O)c[nH]c2c1
InChIInChI=1S/C12H12N2O/c1-8-2-4-10-9(3-5-12(13)15)7-14-11(10)6-8/h2-7,14H,1H3,(H2,13,15)/b5-3-
InChIKeyQSMOLEFOYWABAI-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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Related Compounds

3-(6-fluoro-1H-indol-3-yl)prop-2-enamide
CID 169482966
3-(1H-indol-3-yl)prop-2-enamide;propanoic acid
CID 174449864
N-methyl-3-(6-methyl-1H-indol-3-yl)prop-2-en-1-amine
CID 169474897
3-(2-amino-5-methylphenyl)prop-2-enamide
CID 169481556
(E)-3-(6-bromo-1H-indol-3-yl)prop-2-enoic acid
CID 14847255
(E)-3-(6-cyano-1H-indol-3-yl)prop-2-enoic acid
CID 69013043
(6-methyl-1H-indol-3-yl)methanimine
CID 143049497
3-(6-methyl-1H-indol-3-yl)-2-nitroprop-2-enoic acid
CID 173434285
methyl 3-[(E)-3-oxobut-1-enyl]-1H-indole-6-carboxylate
CID 22627427
tert-butyl (E)-3-(6-cyano-1H-indol-3-yl)prop-2-enoate
CID 67025246
azane;2-(6-methyl-1H-indol-3-yl)acetamide;2-(6-methyl-1H-indol-3-yl)acetic acid;hydrate
CID 160800096
(Z)-3-(5-methyl-1H-indol-2-yl)prop-2-enamide
CID 170878076

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(6-methyl-1H-indol-3-yl)prop-2-enamide?
The IUPAC name of (Z)-3-(6-methyl-1H-indol-3-yl)prop-2-enamide (CID 170876576) is (Z)-3-(6-methyl-1H-indol-3-yl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(6-methyl-1H-indol-3-yl)prop-2-enamide?
The canonical SMILES for (Z)-3-(6-methyl-1H-indol-3-yl)prop-2-enamide is Cc1ccc2c(/C=C\C(N)=O)c[nH]c2c1.
What is the InChIKey of (Z)-3-(6-methyl-1H-indol-3-yl)prop-2-enamide?
The InChIKey is QSMOLEFOYWABAI-HYXAFXHYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-8-2-4-10-9(3-5-12(13)15)7-14-11(10)6-8/h2-7,14H,1H3,(H2,13,15)/b5-3-.
What are the key properties of (Z)-3-(6-methyl-1H-indol-3-yl)prop-2-enamide?
(Z)-3-(6-methyl-1H-indol-3-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-(6-methyl-1H-indol-3-yl)prop-2-enamide is sourced from PubChem (CID 170876576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).