5-cyclobutylidene-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one

C16H15N3O — CID 91302745

IUPAC5-cyclobutylidene-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one
SMILESO=c1[nH][nH]c(=C2CCC2)c1=Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H15N3O/c20-16-13(15(18-19-16)10-4-3-5-10)8-11-9-17-14-7-2-1-6-12(11)14/h1-2,6-9,17-18H,3-5H2,(H,19,20)
InChIKeyLXQLPMDOZWEDRZ-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.35
Rot. Bonds1

About 5-cyclobutylidene-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one

5-cyclobutylidene-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one (PubChem CID 91302745) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-cyclobutylidene-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one.

Molecular Properties

Compound Name5-cyclobutylidene-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one
PubChem CID91302745
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name5-cyclobutylidene-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one
SMILESO=c1[nH][nH]c(=C2CCC2)c1=Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H15N3O/c20-16-13(15(18-19-16)10-4-3-5-10)8-11-9-17-14-7-2-1-6-12(11)14/h1-2,6-9,17-18H,3-5H2,(H,19,20)
InChIKeyLXQLPMDOZWEDRZ-UHFFFAOYSA-N
XLogP1.35
TPSA64.44 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1H-indol-3-ylmethylidene)-5-propan-2-ylidenepyrazolidin-3-one
CID 91600485
(2E)-2,5-bis(1H-indol-3-ylmethylidene)cyclopentan-1-one
CID 716705
5-[2-(4-hydroxyphenyl)ethylidene]-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one
CID 90956193
N-(4-chlorophenyl)-2-[4-(1H-indol-3-ylmethylidene)-5-oxopyrazolidin-3-ylidene]acetamide
CID 91200766
4-(1H-indol-3-ylmethylidene)-2-methyl-5-propan-2-ylidenepyrazolidin-3-one
CID 90777256
3-(2,2-dibromoethenyl)-1H-indole
CID 130532177
(E)-1-(1H-indol-3-yl)-N-piperidin-1-ylmethanimine
CID 135675955
(12Z)-12-(1H-indol-3-ylmethylidene)-1,2,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-2,6,8-trien-11-one
CID 135745661
(1R,2S,6S,7S)-4-[(Z)-1H-indol-3-ylmethylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 135880730
(1S,2R,6S,7R)-4-[(Z)-1H-indol-3-ylmethylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 136672603
(3Z)-1-ethyl-3-(1H-indol-3-ylmethylidene)indol-2-one
CID 5425458
(3E,4aS,5S)-5-hydroxy-3-(1H-indol-3-ylmethylidene)-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-one
CID 68967121

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutylidene-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one?
The IUPAC name of 5-cyclobutylidene-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one (CID 91302745) is 5-cyclobutylidene-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one.
What is the SMILES notation for 5-cyclobutylidene-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one?
The canonical SMILES for 5-cyclobutylidene-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one is O=c1[nH][nH]c(=C2CCC2)c1=Cc1c[nH]c2ccccc12.
What is the InChIKey of 5-cyclobutylidene-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one?
The InChIKey is LXQLPMDOZWEDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c20-16-13(15(18-19-16)10-4-3-5-10)8-11-9-17-14-7-2-1-6-12(11)14/h1-2,6-9,17-18H,3-5H2,(H,19,20).
What are the key properties of 5-cyclobutylidene-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one?
5-cyclobutylidene-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one has a molecular weight of 265.32 g/mol, XLogP of 1.35, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutylidene-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one is sourced from PubChem (CID 91302745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).