(2E)-2,5-bis(1H-indol-3-ylmethylidene)cyclopentan-1-one

C23H18N2O — CID 716705

IUPAC(2E)-2,5-bis(1H-indol-3-ylmethylidene)cyclopentan-1-one
SMILESO=C1C(=Cc2c[nH]c3ccccc23)CC/C1=C\c1c[nH]c2ccccc12
InChIInChI=1S/C23H18N2O/c26-23-15(11-17-13-24-21-7-3-1-5-19(17)21)9-10-16(23)12-18-14-25-22-8-4-2-6-20(18)22/h1-8,11-14,24-25H,9-10H2/b15-11+,16-12?
InChIKeyXWKQDPZDSGUBDK-XTZWMPCRSA-N
MW338.41 g/mol
LogP5.48
Rot. Bonds2

About (2E)-2,5-bis(1H-indol-3-ylmethylidene)cyclopentan-1-one

(2E)-2,5-bis(1H-indol-3-ylmethylidene)cyclopentan-1-one (PubChem CID 716705) has the molecular formula C23H18N2O and a molecular weight of 338.41 g/mol. Its IUPAC name is (2E)-2,5-bis(1H-indol-3-ylmethylidene)cyclopentan-1-one.

Molecular Properties

Compound Name(2E)-2,5-bis(1H-indol-3-ylmethylidene)cyclopentan-1-one
PubChem CID716705
Molecular FormulaC23H18N2O
Molecular Weight338.41 g/mol
Exact Mass338.14
IUPAC Name(2E)-2,5-bis(1H-indol-3-ylmethylidene)cyclopentan-1-one
SMILESO=C1C(=Cc2c[nH]c3ccccc23)CC/C1=C\c1c[nH]c2ccccc12
InChIInChI=1S/C23H18N2O/c26-23-15(11-17-13-24-21-7-3-1-5-19(17)21)9-10-16(23)12-18-14-25-22-8-4-2-6-20(18)22/h1-8,11-14,24-25H,9-10H2/b15-11+,16-12?
InChIKeyXWKQDPZDSGUBDK-XTZWMPCRSA-N
XLogP5.48
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-cyclobutylidene-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one
CID 91302745
3-(2,2-dibromoethenyl)-1H-indole
CID 130532177
(3E,4aS,5S)-5-hydroxy-3-(1H-indol-3-ylmethylidene)-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-one
CID 68967121
4-(1H-indol-3-ylmethylidene)-5-propan-2-ylidenepyrazolidin-3-one
CID 91600485
5-chloro-2-(1H-indol-3-ylmethylidene)-1-benzothiophen-3-one
CID 67028094
3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-1H-indole
CID 10067052
1H-indol-3-ylmethylidenephosphane
CID 136612599
2-hydroxy-3-(1H-indol-3-yl)prop-2-enoic acid
CID 85336038
(2S,3Z)-3-(1H-indol-3-ylmethylidene)-2-phenylchromen-4-one
CID 6977120
(3Z)-7-bromo-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one
CID 58923919
4-(1H-indol-3-ylmethylidene)-2-methyl-5-propan-2-ylidenepyrazolidin-3-one
CID 90777256
(6E)-6-(1H-indol-3-ylmethylidene)-4,7-dihydroisoquinoline-1,3-dione
CID 19041959

Frequently Asked Questions

What is the IUPAC name of (2E)-2,5-bis(1H-indol-3-ylmethylidene)cyclopentan-1-one?
The IUPAC name of (2E)-2,5-bis(1H-indol-3-ylmethylidene)cyclopentan-1-one (CID 716705) is (2E)-2,5-bis(1H-indol-3-ylmethylidene)cyclopentan-1-one.
What is the SMILES notation for (2E)-2,5-bis(1H-indol-3-ylmethylidene)cyclopentan-1-one?
The canonical SMILES for (2E)-2,5-bis(1H-indol-3-ylmethylidene)cyclopentan-1-one is O=C1C(=Cc2c[nH]c3ccccc23)CC/C1=C\c1c[nH]c2ccccc12.
What is the InChIKey of (2E)-2,5-bis(1H-indol-3-ylmethylidene)cyclopentan-1-one?
The InChIKey is XWKQDPZDSGUBDK-XTZWMPCRSA-N. The full InChI is InChI=1S/C23H18N2O/c26-23-15(11-17-13-24-21-7-3-1-5-19(17)21)9-10-16(23)12-18-14-25-22-8-4-2-6-20(18)22/h1-8,11-14,24-25H,9-10H2/b15-11+,16-12?.
What are the key properties of (2E)-2,5-bis(1H-indol-3-ylmethylidene)cyclopentan-1-one?
(2E)-2,5-bis(1H-indol-3-ylmethylidene)cyclopentan-1-one has a molecular weight of 338.41 g/mol, XLogP of 5.48, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2,5-bis(1H-indol-3-ylmethylidene)cyclopentan-1-one is sourced from PubChem (CID 716705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).