5-cyclopentyl-1,5-dimethyl-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione

C18H24N2O3 — CID 138510101

IUPAC5-cyclopentyl-1,5-dimethyl-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione
SMILESC=C/C=C\C(=C)C(=O)CN1C(=O)N(C)C(C)(C2CCCC2)C1=O
InChIInChI=1S/C18H24N2O3/c1-5-6-9-13(2)15(21)12-20-16(22)18(3,19(4)17(20)23)14-10-7-8-11-14/h5-6,9,14H,1-2,7-8,10-12H2,3-4H3/b9-6-
InChIKeyMEZBNAWRNSVTIQ-TWGQIWQCSA-N
MW316.40 g/mol
LogP2.70
Rot. Bonds6

About 5-cyclopentyl-1,5-dimethyl-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione

5-cyclopentyl-1,5-dimethyl-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione (PubChem CID 138510101) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 5-cyclopentyl-1,5-dimethyl-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclopentyl-1,5-dimethyl-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione
PubChem CID138510101
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name5-cyclopentyl-1,5-dimethyl-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione
SMILESC=C/C=C\C(=C)C(=O)CN1C(=O)N(C)C(C)(C2CCCC2)C1=O
InChIInChI=1S/C18H24N2O3/c1-5-6-9-13(2)15(21)12-20-16(22)18(3,19(4)17(20)23)14-10-7-8-11-14/h5-6,9,14H,1-2,7-8,10-12H2,3-4H3/b9-6-
InChIKeyMEZBNAWRNSVTIQ-TWGQIWQCSA-N
XLogP2.70
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-1,5-dimethyl-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione?
The IUPAC name of 5-cyclopentyl-1,5-dimethyl-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione (CID 138510101) is 5-cyclopentyl-1,5-dimethyl-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclopentyl-1,5-dimethyl-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-cyclopentyl-1,5-dimethyl-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione is C=C/C=C\C(=C)C(=O)CN1C(=O)N(C)C(C)(C2CCCC2)C1=O.
What is the InChIKey of 5-cyclopentyl-1,5-dimethyl-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione?
The InChIKey is MEZBNAWRNSVTIQ-TWGQIWQCSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-5-6-9-13(2)15(21)12-20-16(22)18(3,19(4)17(20)23)14-10-7-8-11-14/h5-6,9,14H,1-2,7-8,10-12H2,3-4H3/b9-6-.
What are the key properties of 5-cyclopentyl-1,5-dimethyl-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione?
5-cyclopentyl-1,5-dimethyl-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione has a molecular weight of 316.40 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-1,5-dimethyl-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione is sourced from PubChem (CID 138510101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).