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

C19H14N2O — CID 4206840

IUPAC1,3-bis(1H-indol-3-yl)prop-2-en-1-one
SMILESO=C(C=Cc1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C19H14N2O/c22-19(16-12-21-18-8-4-2-6-15(16)18)10-9-13-11-20-17-7-3-1-5-14(13)17/h1-12,20-21H
InChIKeyQXTGQLSOKNQOOZ-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.55
Rot. Bonds3

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

1,3-bis(1H-indol-3-yl)prop-2-en-1-one (PubChem CID 4206840) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is 1,3-bis(1H-indol-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1,3-bis(1H-indol-3-yl)prop-2-en-1-one
PubChem CID4206840
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Name1,3-bis(1H-indol-3-yl)prop-2-en-1-one
SMILESO=C(C=Cc1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C19H14N2O/c22-19(16-12-21-18-8-4-2-6-15(16)18)10-9-13-11-20-17-7-3-1-5-14(13)17/h1-12,20-21H
InChIKeyQXTGQLSOKNQOOZ-UHFFFAOYSA-N
XLogP4.55
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.55
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

(E)-3-(1H-indol-3-yl)-1-naphthalen-1-ylprop-2-en-1-one
CID 6249312
(E)-1-(5-acetyl-2,4-dihydroxyphenyl)-3-(1H-indol-3-yl)prop-2-en-1-one
CID 15080381
(E)-3-(4-hydroxyphenyl)-1-(1H-indol-3-yl)prop-2-en-1-one
CID 11357505
(E)-1-anthracen-9-yl-3-(1H-indol-3-yl)prop-2-en-1-one
CID 122220626
(E)-1-(1H-indol-3-yl)-3-(4-methylphenyl)prop-2-en-1-one
CID 15122795
1-(3-bromophenyl)-3-(1H-indol-3-yl)prop-2-en-1-one
CID 85232827
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethenyl]prop-2-enamide
CID 54348960
1-(1H-indol-3-yl)prop-2-en-1-one
CID 15122794
(E)-3-(3-chlorophenyl)-1-(1H-indol-3-yl)prop-2-en-1-one
CID 15122798
3-(1H-indol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3122026
1H-indole-3-carbaldehyde;1H-indole-3-carboxylic acid
CID 87759700
2-(1H-indol-3-yl)ethenyl 3-(1H-indol-3-yl)prop-2-enoate
CID 163135142

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1H-indol-3-yl)prop-2-en-1-one?
The IUPAC name of 1,3-bis(1H-indol-3-yl)prop-2-en-1-one (CID 4206840) is 1,3-bis(1H-indol-3-yl)prop-2-en-1-one.
What is the SMILES notation for 1,3-bis(1H-indol-3-yl)prop-2-en-1-one?
The canonical SMILES for 1,3-bis(1H-indol-3-yl)prop-2-en-1-one is O=C(C=Cc1c[nH]c2ccccc12)c1c[nH]c2ccccc12.
What is the InChIKey of 1,3-bis(1H-indol-3-yl)prop-2-en-1-one?
The InChIKey is QXTGQLSOKNQOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c22-19(16-12-21-18-8-4-2-6-15(16)18)10-9-13-11-20-17-7-3-1-5-14(13)17/h1-12,20-21H.
What are the key properties of 1,3-bis(1H-indol-3-yl)prop-2-en-1-one?
1,3-bis(1H-indol-3-yl)prop-2-en-1-one has a molecular weight of 286.33 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1H-indol-3-yl)prop-2-en-1-one is sourced from PubChem (CID 4206840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).