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

C19H26N2O3 — CID 138510008

IUPAC1,5-dimethyl-5-(2-methylcyclopentyl)-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)(C2CCCC2C)C1=O
InChIInChI=1S/C19H26N2O3/c1-6-7-9-14(3)16(22)12-21-17(23)19(4,20(5)18(21)24)15-11-8-10-13(15)2/h6-7,9,13,15H,1,3,8,10-12H2,2,4-5H3/b9-7-
InChIKeyRSKNUERUPSGJJN-CLFYSBASSA-N
MW330.43 g/mol
LogP2.94
Rot. Bonds6

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

1,5-dimethyl-5-(2-methylcyclopentyl)-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione (PubChem CID 138510008) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1,5-dimethyl-5-(2-methylcyclopentyl)-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1,5-dimethyl-5-(2-methylcyclopentyl)-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione
PubChem CID138510008
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1,5-dimethyl-5-(2-methylcyclopentyl)-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)(C2CCCC2C)C1=O
InChIInChI=1S/C19H26N2O3/c1-6-7-9-14(3)16(22)12-21-17(23)19(4,20(5)18(21)24)15-11-8-10-13(15)2/h6-7,9,13,15H,1,3,8,10-12H2,2,4-5H3/b9-7-
InChIKeyRSKNUERUPSGJJN-CLFYSBASSA-N
XLogP2.94
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.94
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 1,5-dimethyl-5-(2-methylcyclopentyl)-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione?
The IUPAC name of 1,5-dimethyl-5-(2-methylcyclopentyl)-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione (CID 138510008) is 1,5-dimethyl-5-(2-methylcyclopentyl)-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1,5-dimethyl-5-(2-methylcyclopentyl)-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione?
The canonical SMILES for 1,5-dimethyl-5-(2-methylcyclopentyl)-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)(C2CCCC2C)C1=O.
What is the InChIKey of 1,5-dimethyl-5-(2-methylcyclopentyl)-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione?
The InChIKey is RSKNUERUPSGJJN-CLFYSBASSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-6-7-9-14(3)16(22)12-21-17(23)19(4,20(5)18(21)24)15-11-8-10-13(15)2/h6-7,9,13,15H,1,3,8,10-12H2,2,4-5H3/b9-7-.
What are the key properties of 1,5-dimethyl-5-(2-methylcyclopentyl)-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione?
1,5-dimethyl-5-(2-methylcyclopentyl)-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione has a molecular weight of 330.43 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-5-(2-methylcyclopentyl)-3-[(4Z)-3-methylidene-2-oxohepta-4,6-dienyl]imidazolidine-2,4-dione is sourced from PubChem (CID 138510008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).