3-(1H-indol-3-yl)prop-2-enamide;propanoic acid

C14H16N2O3 — CID 174449864

IUPAC3-(1H-indol-3-yl)prop-2-enamide;propanoic acid
SMILESCCC(=O)O.NC(=O)C=Cc1c[nH]c2ccccc12
InChIInChI=1S/C11H10N2O.C3H6O2/c12-11(14)6-5-8-7-13-10-4-2-1-3-9(8)10;1-2-3(4)5/h1-7,13H,(H2,12,14);2H2,1H3,(H,4,5)
InChIKeyAVNZJXQWCVNDLE-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.15
Rot. Bonds3

About 3-(1H-indol-3-yl)prop-2-enamide;propanoic acid

3-(1H-indol-3-yl)prop-2-enamide;propanoic acid (PubChem CID 174449864) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)prop-2-enamide;propanoic acid.

Molecular Properties

Compound Name3-(1H-indol-3-yl)prop-2-enamide;propanoic acid
PubChem CID174449864
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-(1H-indol-3-yl)prop-2-enamide;propanoic acid
SMILESCCC(=O)O.NC(=O)C=Cc1c[nH]c2ccccc12
InChIInChI=1S/C11H10N2O.C3H6O2/c12-11(14)6-5-8-7-13-10-4-2-1-3-9(8)10;1-2-3(4)5/h1-7,13H,(H2,12,14);2H2,1H3,(H,4,5)
InChIKeyAVNZJXQWCVNDLE-UHFFFAOYSA-N
XLogP2.15
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(1H-indol-3-yl)prop-2-enethioamide
CID 119088775
(Z)-3-(6-methyl-1H-indol-3-yl)prop-2-enamide
CID 170876576
1,3-bis(1H-indol-3-yl)prop-2-en-1-one
CID 4206840
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethenyl]prop-2-enamide
CID 54348960
(E)-3-(1H-indol-3-yl)-1-naphthalen-1-ylprop-2-en-1-one
CID 6249312
3-(6-fluoro-1H-indol-3-yl)prop-2-enamide
CID 169482966
2-(1H-indol-3-yl)ethenyl 3-(1H-indol-3-yl)prop-2-enoate
CID 163135142
1-(3-bromophenyl)-3-(1H-indol-3-yl)prop-2-en-1-one
CID 85232827
(E)-1-anthracen-9-yl-3-(1H-indol-3-yl)prop-2-en-1-one
CID 122220626
3-(1H-indol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3122026
(E)-but-2-enedioyl dichloride;ethyl (E)-4-chloro-4-oxobut-2-enoate;(E)-3-(1H-indol-3-yl)prop-2-enoyl chloride;(E)-3-phenylprop-2-enoyl chloride;prop-2-ynoyl chloride
CID 162265970
[(2S,4S,5R)-4,5-di(propanoyloxy)oxan-2-yl] (E)-3-(1H-indol-3-yl)prop-2-enoate
CID 162466294

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)prop-2-enamide;propanoic acid?
The IUPAC name of 3-(1H-indol-3-yl)prop-2-enamide;propanoic acid (CID 174449864) is 3-(1H-indol-3-yl)prop-2-enamide;propanoic acid.
What is the SMILES notation for 3-(1H-indol-3-yl)prop-2-enamide;propanoic acid?
The canonical SMILES for 3-(1H-indol-3-yl)prop-2-enamide;propanoic acid is CCC(=O)O.NC(=O)C=Cc1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)prop-2-enamide;propanoic acid?
The InChIKey is AVNZJXQWCVNDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O.C3H6O2/c12-11(14)6-5-8-7-13-10-4-2-1-3-9(8)10;1-2-3(4)5/h1-7,13H,(H2,12,14);2H2,1H3,(H,4,5).
What are the key properties of 3-(1H-indol-3-yl)prop-2-enamide;propanoic acid?
3-(1H-indol-3-yl)prop-2-enamide;propanoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.15, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)prop-2-enamide;propanoic acid is sourced from PubChem (CID 174449864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).