(Z)-12-(2-methylidene-5-oxopyrrol-1-yl)dodec-3-ene-2,5-dione

C17H23NO3 — CID 89246739

IUPAC(Z)-12-(2-methylidene-5-oxopyrrol-1-yl)dodec-3-ene-2,5-dione
SMILESC=C1C=CC(=O)N1CCCCCCCC(=O)/C=C\C(C)=O
InChIInChI=1S/C17H23NO3/c1-14-9-12-17(21)18(14)13-7-5-3-4-6-8-16(20)11-10-15(2)19/h9-12H,1,3-8,13H2,2H3/b11-10-
InChIKeyMQAUMOKGZLTPKG-KHPPLWFESA-N
MW289.38 g/mol
LogP2.95
Rot. Bonds10

About (Z)-12-(2-methylidene-5-oxopyrrol-1-yl)dodec-3-ene-2,5-dione

(Z)-12-(2-methylidene-5-oxopyrrol-1-yl)dodec-3-ene-2,5-dione (PubChem CID 89246739) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is (Z)-12-(2-methylidene-5-oxopyrrol-1-yl)dodec-3-ene-2,5-dione.

Molecular Properties

Compound Name(Z)-12-(2-methylidene-5-oxopyrrol-1-yl)dodec-3-ene-2,5-dione
PubChem CID89246739
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name(Z)-12-(2-methylidene-5-oxopyrrol-1-yl)dodec-3-ene-2,5-dione
SMILESC=C1C=CC(=O)N1CCCCCCCC(=O)/C=C\C(C)=O
InChIInChI=1S/C17H23NO3/c1-14-9-12-17(21)18(14)13-7-5-3-4-6-8-16(20)11-10-15(2)19/h9-12H,1,3-8,13H2,2H3/b11-10-
InChIKeyMQAUMOKGZLTPKG-KHPPLWFESA-N
XLogP2.95
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-12-(2-methylidene-5-oxopyrrol-1-yl)dodec-3-ene-2,5-dione?
The IUPAC name of (Z)-12-(2-methylidene-5-oxopyrrol-1-yl)dodec-3-ene-2,5-dione (CID 89246739) is (Z)-12-(2-methylidene-5-oxopyrrol-1-yl)dodec-3-ene-2,5-dione.
What is the SMILES notation for (Z)-12-(2-methylidene-5-oxopyrrol-1-yl)dodec-3-ene-2,5-dione?
The canonical SMILES for (Z)-12-(2-methylidene-5-oxopyrrol-1-yl)dodec-3-ene-2,5-dione is C=C1C=CC(=O)N1CCCCCCCC(=O)/C=C\C(C)=O.
What is the InChIKey of (Z)-12-(2-methylidene-5-oxopyrrol-1-yl)dodec-3-ene-2,5-dione?
The InChIKey is MQAUMOKGZLTPKG-KHPPLWFESA-N. The full InChI is InChI=1S/C17H23NO3/c1-14-9-12-17(21)18(14)13-7-5-3-4-6-8-16(20)11-10-15(2)19/h9-12H,1,3-8,13H2,2H3/b11-10-.
What are the key properties of (Z)-12-(2-methylidene-5-oxopyrrol-1-yl)dodec-3-ene-2,5-dione?
(Z)-12-(2-methylidene-5-oxopyrrol-1-yl)dodec-3-ene-2,5-dione has a molecular weight of 289.38 g/mol, XLogP of 2.95, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-12-(2-methylidene-5-oxopyrrol-1-yl)dodec-3-ene-2,5-dione is sourced from PubChem (CID 89246739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).