1-cyclodecyl-3-methylimidazol-2-one

C14H24N2O — CID 138507653

IUPAC1-cyclodecyl-3-methylimidazol-2-one
SMILESCn1ccn(C2CCCCCCCCC2)c1=O
InChIInChI=1S/C14H24N2O/c1-15-11-12-16(14(15)17)13-9-7-5-3-2-4-6-8-10-13/h11-13H,2-10H2,1H3
InChIKeyAGEJKTSGHXVXCH-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.25
Rot. Bonds1

About 1-cyclodecyl-3-methylimidazol-2-one

1-cyclodecyl-3-methylimidazol-2-one (PubChem CID 138507653) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-cyclodecyl-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-cyclodecyl-3-methylimidazol-2-one
PubChem CID138507653
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-cyclodecyl-3-methylimidazol-2-one
SMILESCn1ccn(C2CCCCCCCCC2)c1=O
InChIInChI=1S/C14H24N2O/c1-15-11-12-16(14(15)17)13-9-7-5-3-2-4-6-8-10-13/h11-13H,2-10H2,1H3
InChIKeyAGEJKTSGHXVXCH-UHFFFAOYSA-N
XLogP3.25
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclodecyl-3-methylimidazol-2-one?
The IUPAC name of 1-cyclodecyl-3-methylimidazol-2-one (CID 138507653) is 1-cyclodecyl-3-methylimidazol-2-one.
What is the SMILES notation for 1-cyclodecyl-3-methylimidazol-2-one?
The canonical SMILES for 1-cyclodecyl-3-methylimidazol-2-one is Cn1ccn(C2CCCCCCCCC2)c1=O.
What is the InChIKey of 1-cyclodecyl-3-methylimidazol-2-one?
The InChIKey is AGEJKTSGHXVXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-15-11-12-16(14(15)17)13-9-7-5-3-2-4-6-8-10-13/h11-13H,2-10H2,1H3.
What are the key properties of 1-cyclodecyl-3-methylimidazol-2-one?
1-cyclodecyl-3-methylimidazol-2-one has a molecular weight of 236.36 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclodecyl-3-methylimidazol-2-one is sourced from PubChem (CID 138507653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).