1-[(3,7-dimethyl-1-bicyclo[3.3.1]non-4-enyl)methyl]imidazolidin-2-one

C15H24N2O — CID 139400227

IUPAC1-[(3,7-dimethyl-1-bicyclo[3.3.1]non-4-enyl)methyl]imidazolidin-2-one
SMILESCC1C=C2CC(C)CC(CN3CCNC3=O)(C2)C1
InChIInChI=1S/C15H24N2O/c1-11-5-13-6-12(2)8-15(7-11,9-13)10-17-4-3-16-14(17)18/h5,11-12H,3-4,6-10H2,1-2H3,(H,16,18)
InChIKeyQBOJFKSWVBUFRK-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.78
Rot. Bonds2

About 1-[(3,7-dimethyl-1-bicyclo[3.3.1]non-4-enyl)methyl]imidazolidin-2-one

1-[(3,7-dimethyl-1-bicyclo[3.3.1]non-4-enyl)methyl]imidazolidin-2-one (PubChem CID 139400227) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[(3,7-dimethyl-1-bicyclo[3.3.1]non-4-enyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3,7-dimethyl-1-bicyclo[3.3.1]non-4-enyl)methyl]imidazolidin-2-one
PubChem CID139400227
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[(3,7-dimethyl-1-bicyclo[3.3.1]non-4-enyl)methyl]imidazolidin-2-one
SMILESCC1C=C2CC(C)CC(CN3CCNC3=O)(C2)C1
InChIInChI=1S/C15H24N2O/c1-11-5-13-6-12(2)8-15(7-11,9-13)10-17-4-3-16-14(17)18/h5,11-12H,3-4,6-10H2,1-2H3,(H,16,18)
InChIKeyQBOJFKSWVBUFRK-UHFFFAOYSA-N
XLogP2.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
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 1-[(3,7-dimethyl-1-bicyclo[3.3.1]non-4-enyl)methyl]imidazolidin-2-one?
The IUPAC name of 1-[(3,7-dimethyl-1-bicyclo[3.3.1]non-4-enyl)methyl]imidazolidin-2-one (CID 139400227) is 1-[(3,7-dimethyl-1-bicyclo[3.3.1]non-4-enyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(3,7-dimethyl-1-bicyclo[3.3.1]non-4-enyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-[(3,7-dimethyl-1-bicyclo[3.3.1]non-4-enyl)methyl]imidazolidin-2-one is CC1C=C2CC(C)CC(CN3CCNC3=O)(C2)C1.
What is the InChIKey of 1-[(3,7-dimethyl-1-bicyclo[3.3.1]non-4-enyl)methyl]imidazolidin-2-one?
The InChIKey is QBOJFKSWVBUFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-5-13-6-12(2)8-15(7-11,9-13)10-17-4-3-16-14(17)18/h5,11-12H,3-4,6-10H2,1-2H3,(H,16,18).
What are the key properties of 1-[(3,7-dimethyl-1-bicyclo[3.3.1]non-4-enyl)methyl]imidazolidin-2-one?
1-[(3,7-dimethyl-1-bicyclo[3.3.1]non-4-enyl)methyl]imidazolidin-2-one has a molecular weight of 248.37 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,7-dimethyl-1-bicyclo[3.3.1]non-4-enyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 139400227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).