(Z)-3-hydroxy-1,3-bis(1H-indol-3-yl)prop-2-en-1-one

C19H14N2O2 — CID 101442248

IUPAC(Z)-3-hydroxy-1,3-bis(1H-indol-3-yl)prop-2-en-1-one
SMILESO=C(/C=C(\O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C19H14N2O2/c22-18(14-10-20-16-7-3-1-5-12(14)16)9-19(23)15-11-21-17-8-4-2-6-13(15)17/h1-11,20-22H/b18-9-
InChIKeyUILMSDHJTJBXLP-NVMNQCDNSA-N
MW302.33 g/mol
LogP4.43
Rot. Bonds3

About (Z)-3-hydroxy-1,3-bis(1H-indol-3-yl)prop-2-en-1-one

(Z)-3-hydroxy-1,3-bis(1H-indol-3-yl)prop-2-en-1-one (PubChem CID 101442248) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is (Z)-3-hydroxy-1,3-bis(1H-indol-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-hydroxy-1,3-bis(1H-indol-3-yl)prop-2-en-1-one
PubChem CID101442248
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name(Z)-3-hydroxy-1,3-bis(1H-indol-3-yl)prop-2-en-1-one
SMILESO=C(/C=C(\O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C19H14N2O2/c22-18(14-10-20-16-7-3-1-5-12(14)16)9-19(23)15-11-21-17-8-4-2-6-13(15)17/h1-11,20-22H/b18-9-
InChIKeyUILMSDHJTJBXLP-NVMNQCDNSA-N
XLogP4.43
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 54.43
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

1-(1H-indol-3-yl)prop-2-en-1-one
CID 15122794
methyl (Z)-4-(1H-indol-3-yl)-2-methyl-4-oxobut-2-enoate
CID 11977126
2,3-bis(1H-indol-3-yl)but-2-enedioic acid
CID 57224094
(Z)-3-bromo-3-(1H-indol-3-yl)-1-phenylprop-2-en-1-one
CID 101407853
1,3-bis(1H-indol-3-yl)prop-2-en-1-one
CID 4206840
1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583
1H-indole-3-carbaldehyde;1H-indole-3-carboxylic acid
CID 87759700
sodium 1H-indole-3-carboxylate
CID 23698293
(E)-3-(4-hydroxyphenyl)-1-(1H-indol-3-yl)prop-2-en-1-one
CID 11357505
N-oxo-1H-indole-3-carboxamide
CID 88522766
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148
(E)-1-(1H-indol-3-yl)-3-(4-methylphenyl)prop-2-en-1-one
CID 15122795

Frequently Asked Questions

What is the IUPAC name of (Z)-3-hydroxy-1,3-bis(1H-indol-3-yl)prop-2-en-1-one?
The IUPAC name of (Z)-3-hydroxy-1,3-bis(1H-indol-3-yl)prop-2-en-1-one (CID 101442248) is (Z)-3-hydroxy-1,3-bis(1H-indol-3-yl)prop-2-en-1-one.
What is the SMILES notation for (Z)-3-hydroxy-1,3-bis(1H-indol-3-yl)prop-2-en-1-one?
The canonical SMILES for (Z)-3-hydroxy-1,3-bis(1H-indol-3-yl)prop-2-en-1-one is O=C(/C=C(\O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12.
What is the InChIKey of (Z)-3-hydroxy-1,3-bis(1H-indol-3-yl)prop-2-en-1-one?
The InChIKey is UILMSDHJTJBXLP-NVMNQCDNSA-N. The full InChI is InChI=1S/C19H14N2O2/c22-18(14-10-20-16-7-3-1-5-12(14)16)9-19(23)15-11-21-17-8-4-2-6-13(15)17/h1-11,20-22H/b18-9-.
What are the key properties of (Z)-3-hydroxy-1,3-bis(1H-indol-3-yl)prop-2-en-1-one?
(Z)-3-hydroxy-1,3-bis(1H-indol-3-yl)prop-2-en-1-one has a molecular weight of 302.33 g/mol, XLogP of 4.43, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hydroxy-1,3-bis(1H-indol-3-yl)prop-2-en-1-one is sourced from PubChem (CID 101442248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).