2-hydroxy-3-(1H-indol-3-yl)prop-2-enoic acid

C11H9NO3 — CID 85336038

IUPAC2-hydroxy-3-(1H-indol-3-yl)prop-2-enoic acid
SMILESO=C(O)C(O)=Cc1c[nH]c2ccccc12
InChIInChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-6,12-13H,(H,14,15)
InChIKeyKDCSRTPNDBPWQZ-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.15
Rot. Bonds2

About 2-hydroxy-3-(1H-indol-3-yl)prop-2-enoic acid

2-hydroxy-3-(1H-indol-3-yl)prop-2-enoic acid (PubChem CID 85336038) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-hydroxy-3-(1H-indol-3-yl)prop-2-enoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(1H-indol-3-yl)prop-2-enoic acid
PubChem CID85336038
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name2-hydroxy-3-(1H-indol-3-yl)prop-2-enoic acid
SMILESO=C(O)C(O)=Cc1c[nH]c2ccccc12
InChIInChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-6,12-13H,(H,14,15)
InChIKeyKDCSRTPNDBPWQZ-UHFFFAOYSA-N
XLogP2.15
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-fluoro-3-(1H-indol-3-yl)prop-2-enoic acid
CID 67920432
3-(2,2-dibromoethenyl)-1H-indole
CID 130532177
(Z)-2-dimethoxyphosphoryl-3-(1H-indol-3-yl)prop-2-enoic acid
CID 6477471
1H-indole-3-carbaldehyde;1H-indole-3-carboxylic acid
CID 87759700
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
(E)-3-(1H-indol-3-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-enoic acid
CID 8706411
2-cyano-3-(1H-indol-3-yl)-N-phenylprop-2-enamide
CID 959247
N-[(3Z)-3-(1H-indol-3-ylmethylidene)-4-oxopent-1-en-2-yl]acetamide
CID 142165781
2,3-bis(1H-indol-3-yl)but-2-enedioic acid
CID 57224094
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
1,3-bis(1H-indol-3-yl)prop-2-en-1-one
CID 4206840
2-[[(2E)-2-(1H-indol-3-ylmethylidene)-4-oxo-4-phenylbutanoyl]amino]acetic acid
CID 70676877

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(1H-indol-3-yl)prop-2-enoic acid?
The IUPAC name of 2-hydroxy-3-(1H-indol-3-yl)prop-2-enoic acid (CID 85336038) is 2-hydroxy-3-(1H-indol-3-yl)prop-2-enoic acid.
What is the SMILES notation for 2-hydroxy-3-(1H-indol-3-yl)prop-2-enoic acid?
The canonical SMILES for 2-hydroxy-3-(1H-indol-3-yl)prop-2-enoic acid is O=C(O)C(O)=Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-hydroxy-3-(1H-indol-3-yl)prop-2-enoic acid?
The InChIKey is KDCSRTPNDBPWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-6,12-13H,(H,14,15).
What are the key properties of 2-hydroxy-3-(1H-indol-3-yl)prop-2-enoic acid?
2-hydroxy-3-(1H-indol-3-yl)prop-2-enoic acid has a molecular weight of 203.20 g/mol, XLogP of 2.15, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(1H-indol-3-yl)prop-2-enoic acid is sourced from PubChem (CID 85336038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).