5-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-1,5-dimethyl-3-[(3E,5Z)-2-oxoocta-3,5,7-trienyl]imidazolidine-2,4-dione

C22H28N2O3 — CID 138510163

IUPAC5-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-1,5-dimethyl-3-[(3E,5Z)-2-oxoocta-3,5,7-trienyl]imidazolidine-2,4-dione
SMILESC=C/C=C\C=C\C(=O)CN1C(=O)N(C)C(C)(C2=CC[C@H]3C[C@@H]2C3(C)C)C1=O
InChIInChI=1S/C22H28N2O3/c1-6-7-8-9-10-16(25)14-24-19(26)22(4,23(5)20(24)27)17-12-11-15-13-18(17)21(15,2)3/h6-10,12,15,18H,1,11,13-14H2,2-5H3/b8-7-,10-9+/t15-,18-,22?/m0/s1
InChIKeyHBMPLNNBKZQWRI-AVZZZCSJSA-N
MW368.48 g/mol
LogP3.50
Rot. Bonds6

About 5-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-1,5-dimethyl-3-[(3E,5Z)-2-oxoocta-3,5,7-trienyl]imidazolidine-2,4-dione

5-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-1,5-dimethyl-3-[(3E,5Z)-2-oxoocta-3,5,7-trienyl]imidazolidine-2,4-dione (PubChem CID 138510163) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 5-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-1,5-dimethyl-3-[(3E,5Z)-2-oxoocta-3,5,7-trienyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-1,5-dimethyl-3-[(3E,5Z)-2-oxoocta-3,5,7-trienyl]imidazolidine-2,4-dione
PubChem CID138510163
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name5-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-1,5-dimethyl-3-[(3E,5Z)-2-oxoocta-3,5,7-trienyl]imidazolidine-2,4-dione
SMILESC=C/C=C\C=C\C(=O)CN1C(=O)N(C)C(C)(C2=CC[C@H]3C[C@@H]2C3(C)C)C1=O
InChIInChI=1S/C22H28N2O3/c1-6-7-8-9-10-16(25)14-24-19(26)22(4,23(5)20(24)27)17-12-11-15-13-18(17)21(15,2)3/h6-10,12,15,18H,1,11,13-14H2,2-5H3/b8-7-,10-9+/t15-,18-,22?/m0/s1
InChIKeyHBMPLNNBKZQWRI-AVZZZCSJSA-N
XLogP3.50
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-1,5-dimethyl-3-[(3E,5Z)-2-oxoocta-3,5,7-trienyl]imidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-1,5-dimethyl-3-[(3E,5Z)-2-oxoocta-3,5,7-trienyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-1,5-dimethyl-3-[(3E,5Z)-2-oxoocta-3,5,7-trienyl]imidazolidine-2,4-dione (CID 138510163) is 5-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-1,5-dimethyl-3-[(3E,5Z)-2-oxoocta-3,5,7-trienyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-1,5-dimethyl-3-[(3E,5Z)-2-oxoocta-3,5,7-trienyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-1,5-dimethyl-3-[(3E,5Z)-2-oxoocta-3,5,7-trienyl]imidazolidine-2,4-dione is C=C/C=C\C=C\C(=O)CN1C(=O)N(C)C(C)(C2=CC[C@H]3C[C@@H]2C3(C)C)C1=O.
What is the InChIKey of 5-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-1,5-dimethyl-3-[(3E,5Z)-2-oxoocta-3,5,7-trienyl]imidazolidine-2,4-dione?
The InChIKey is HBMPLNNBKZQWRI-AVZZZCSJSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-6-7-8-9-10-16(25)14-24-19(26)22(4,23(5)20(24)27)17-12-11-15-13-18(17)21(15,2)3/h6-10,12,15,18H,1,11,13-14H2,2-5H3/b8-7-,10-9+/t15-,18-,22?/m0/s1.
What are the key properties of 5-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-1,5-dimethyl-3-[(3E,5Z)-2-oxoocta-3,5,7-trienyl]imidazolidine-2,4-dione?
5-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-1,5-dimethyl-3-[(3E,5Z)-2-oxoocta-3,5,7-trienyl]imidazolidine-2,4-dione has a molecular weight of 368.48 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-1,5-dimethyl-3-[(3E,5Z)-2-oxoocta-3,5,7-trienyl]imidazolidine-2,4-dione is sourced from PubChem (CID 138510163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).