ethane;3-[3-methyl-2-[(Z)-prop-1-enyl]pyrrolo[2,3-b]pyridin-1-yl]piperidine-2,6-dione;prop-1-yne

C21H27N3O2 — CID 176987810

IUPACethane;3-[3-methyl-2-[(Z)-prop-1-enyl]pyrrolo[2,3-b]pyridin-1-yl]piperidine-2,6-dione;prop-1-yne
SMILESC#CC.C/C=C\c1c(C)c2cccnc2n1C1CCC(=O)NC1=O.CC
InChIInChI=1S/C16H17N3O2.C3H4.C2H6/c1-3-5-12-10(2)11-6-4-9-17-15(11)19(12)13-7-8-14(20)18-16(13)21;1-3-2;1-2/h3-6,9,13H,7-8H2,1-2H3,(H,18,20,21);1H,2H3;1-2H3/b5-3-;;
InChIKeyGEVGWKVVAWHSMF-ORIPCLHRSA-N
MW353.47 g/mol
LogP4.02
Rot. Bonds2

About ethane;3-[3-methyl-2-[(Z)-prop-1-enyl]pyrrolo[2,3-b]pyridin-1-yl]piperidine-2,6-dione;prop-1-yne

ethane;3-[3-methyl-2-[(Z)-prop-1-enyl]pyrrolo[2,3-b]pyridin-1-yl]piperidine-2,6-dione;prop-1-yne (PubChem CID 176987810) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is ethane;3-[3-methyl-2-[(Z)-prop-1-enyl]pyrrolo[2,3-b]pyridin-1-yl]piperidine-2,6-dione;prop-1-yne.

Molecular Properties

Compound Nameethane;3-[3-methyl-2-[(Z)-prop-1-enyl]pyrrolo[2,3-b]pyridin-1-yl]piperidine-2,6-dione;prop-1-yne
PubChem CID176987810
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Nameethane;3-[3-methyl-2-[(Z)-prop-1-enyl]pyrrolo[2,3-b]pyridin-1-yl]piperidine-2,6-dione;prop-1-yne
SMILESC#CC.C/C=C\c1c(C)c2cccnc2n1C1CCC(=O)NC1=O.CC
InChIInChI=1S/C16H17N3O2.C3H4.C2H6/c1-3-5-12-10(2)11-6-4-9-17-15(11)19(12)13-7-8-14(20)18-16(13)21;1-3-2;1-2/h3-6,9,13H,7-8H2,1-2H3,(H,18,20,21);1H,2H3;1-2H3/b5-3-;;
InChIKeyGEVGWKVVAWHSMF-ORIPCLHRSA-N
XLogP4.02
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze ethane;3-[3-methyl-2-[(Z)-prop-1-enyl]pyrrolo[2,3-b]pyridin-1-yl]piperidine-2,6-dione;prop-1-yne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 156795243
3-pyrido[2,3-b]indol-9-ylpiperidine-2,6-dione
CID 138728131
3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 142616477
ethane;3-(5-ethylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 170584325
3-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)piperidine-2,6-dione
CID 153310477
3-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)piperidine-2,6-dione
CID 153310470
3-[2-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-7-yl]carbazol-9-yl]piperidine-2,6-dione
CID 153390253
3-[3,4-dimethyl-2-oxo-5-[(Z)-prop-1-enyl]imidazol-1-yl]piperidine-2,6-dione
CID 156799097
9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indole-4-carbaldehyde
CID 146598559
3-(7-nitropyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 138695552
5-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-5-yl]pentanal
CID 151240446
3-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-6-yl]propoxy]propyl-methylcarbamic acid
CID 138696039

Frequently Asked Questions

What is the IUPAC name of ethane;3-[3-methyl-2-[(Z)-prop-1-enyl]pyrrolo[2,3-b]pyridin-1-yl]piperidine-2,6-dione;prop-1-yne?
The IUPAC name of ethane;3-[3-methyl-2-[(Z)-prop-1-enyl]pyrrolo[2,3-b]pyridin-1-yl]piperidine-2,6-dione;prop-1-yne (CID 176987810) is ethane;3-[3-methyl-2-[(Z)-prop-1-enyl]pyrrolo[2,3-b]pyridin-1-yl]piperidine-2,6-dione;prop-1-yne.
What is the SMILES notation for ethane;3-[3-methyl-2-[(Z)-prop-1-enyl]pyrrolo[2,3-b]pyridin-1-yl]piperidine-2,6-dione;prop-1-yne?
The canonical SMILES for ethane;3-[3-methyl-2-[(Z)-prop-1-enyl]pyrrolo[2,3-b]pyridin-1-yl]piperidine-2,6-dione;prop-1-yne is C#CC.C/C=C\c1c(C)c2cccnc2n1C1CCC(=O)NC1=O.CC.
What is the InChIKey of ethane;3-[3-methyl-2-[(Z)-prop-1-enyl]pyrrolo[2,3-b]pyridin-1-yl]piperidine-2,6-dione;prop-1-yne?
The InChIKey is GEVGWKVVAWHSMF-ORIPCLHRSA-N. The full InChI is InChI=1S/C16H17N3O2.C3H4.C2H6/c1-3-5-12-10(2)11-6-4-9-17-15(11)19(12)13-7-8-14(20)18-16(13)21;1-3-2;1-2/h3-6,9,13H,7-8H2,1-2H3,(H,18,20,21);1H,2H3;1-2H3/b5-3-;;.
What are the key properties of ethane;3-[3-methyl-2-[(Z)-prop-1-enyl]pyrrolo[2,3-b]pyridin-1-yl]piperidine-2,6-dione;prop-1-yne?
ethane;3-[3-methyl-2-[(Z)-prop-1-enyl]pyrrolo[2,3-b]pyridin-1-yl]piperidine-2,6-dione;prop-1-yne has a molecular weight of 353.47 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[3-methyl-2-[(Z)-prop-1-enyl]pyrrolo[2,3-b]pyridin-1-yl]piperidine-2,6-dione;prop-1-yne is sourced from PubChem (CID 176987810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).