(Z)-5-(6-ethyl-1,1,2-trimethylnaphthalen-2-yl)-1-pyrrolidin-1-ylpent-4-en-1-one

C24H33NO — CID 138978569

IUPAC(Z)-5-(6-ethyl-1,1,2-trimethylnaphthalen-2-yl)-1-pyrrolidin-1-ylpent-4-en-1-one
SMILESCCc1ccc2c(c1)C=CC(C)(/C=C\CCC(=O)N1CCCC1)C2(C)C
InChIInChI=1S/C24H33NO/c1-5-19-11-12-21-20(18-19)13-15-24(4,23(21,2)3)14-7-6-10-22(26)25-16-8-9-17-25/h7,11-15,18H,5-6,8-10,16-17H2,1-4H3/b14-7-
InChIKeyONXNVYYWVUOHPB-AUWJEWJLSA-N
MW351.53 g/mol
LogP5.52
Rot. Bonds5

About (Z)-5-(6-ethyl-1,1,2-trimethylnaphthalen-2-yl)-1-pyrrolidin-1-ylpent-4-en-1-one

(Z)-5-(6-ethyl-1,1,2-trimethylnaphthalen-2-yl)-1-pyrrolidin-1-ylpent-4-en-1-one (PubChem CID 138978569) has the molecular formula C24H33NO and a molecular weight of 351.53 g/mol. Its IUPAC name is (Z)-5-(6-ethyl-1,1,2-trimethylnaphthalen-2-yl)-1-pyrrolidin-1-ylpent-4-en-1-one.

Molecular Properties

Compound Name(Z)-5-(6-ethyl-1,1,2-trimethylnaphthalen-2-yl)-1-pyrrolidin-1-ylpent-4-en-1-one
PubChem CID138978569
Molecular FormulaC24H33NO
Molecular Weight351.53 g/mol
Exact Mass351.26
IUPAC Name(Z)-5-(6-ethyl-1,1,2-trimethylnaphthalen-2-yl)-1-pyrrolidin-1-ylpent-4-en-1-one
SMILESCCc1ccc2c(c1)C=CC(C)(/C=C\CCC(=O)N1CCCC1)C2(C)C
InChIInChI=1S/C24H33NO/c1-5-19-11-12-21-20(18-19)13-15-24(4,23(21,2)3)14-7-6-10-22(26)25-16-8-9-17-25/h7,11-15,18H,5-6,8-10,16-17H2,1-4H3/b14-7-
InChIKeyONXNVYYWVUOHPB-AUWJEWJLSA-N
XLogP5.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.53
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-(6-ethyl-1,1,2-trimethylnaphthalen-2-yl)-1-pyrrolidin-1-ylpent-4-en-1-one?
The IUPAC name of (Z)-5-(6-ethyl-1,1,2-trimethylnaphthalen-2-yl)-1-pyrrolidin-1-ylpent-4-en-1-one (CID 138978569) is (Z)-5-(6-ethyl-1,1,2-trimethylnaphthalen-2-yl)-1-pyrrolidin-1-ylpent-4-en-1-one.
What is the SMILES notation for (Z)-5-(6-ethyl-1,1,2-trimethylnaphthalen-2-yl)-1-pyrrolidin-1-ylpent-4-en-1-one?
The canonical SMILES for (Z)-5-(6-ethyl-1,1,2-trimethylnaphthalen-2-yl)-1-pyrrolidin-1-ylpent-4-en-1-one is CCc1ccc2c(c1)C=CC(C)(/C=C\CCC(=O)N1CCCC1)C2(C)C.
What is the InChIKey of (Z)-5-(6-ethyl-1,1,2-trimethylnaphthalen-2-yl)-1-pyrrolidin-1-ylpent-4-en-1-one?
The InChIKey is ONXNVYYWVUOHPB-AUWJEWJLSA-N. The full InChI is InChI=1S/C24H33NO/c1-5-19-11-12-21-20(18-19)13-15-24(4,23(21,2)3)14-7-6-10-22(26)25-16-8-9-17-25/h7,11-15,18H,5-6,8-10,16-17H2,1-4H3/b14-7-.
What are the key properties of (Z)-5-(6-ethyl-1,1,2-trimethylnaphthalen-2-yl)-1-pyrrolidin-1-ylpent-4-en-1-one?
(Z)-5-(6-ethyl-1,1,2-trimethylnaphthalen-2-yl)-1-pyrrolidin-1-ylpent-4-en-1-one has a molecular weight of 351.53 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(6-ethyl-1,1,2-trimethylnaphthalen-2-yl)-1-pyrrolidin-1-ylpent-4-en-1-one is sourced from PubChem (CID 138978569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).