3-butyl-1-methyl-4-methylideneimidazolidin-2-one

C9H16N2O — CID 89278898

IUPAC3-butyl-1-methyl-4-methylideneimidazolidin-2-one
SMILESC=C1CN(C)C(=O)N1CCCC
InChIInChI=1S/C9H16N2O/c1-4-5-6-11-8(2)7-10(3)9(11)12/h2,4-7H2,1,3H3
InChIKeyQGRKPBBZBKMCAP-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.67
Rot. Bonds3

About 3-butyl-1-methyl-4-methylideneimidazolidin-2-one

3-butyl-1-methyl-4-methylideneimidazolidin-2-one (PubChem CID 89278898) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-butyl-1-methyl-4-methylideneimidazolidin-2-one.

Molecular Properties

Compound Name3-butyl-1-methyl-4-methylideneimidazolidin-2-one
PubChem CID89278898
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-butyl-1-methyl-4-methylideneimidazolidin-2-one
SMILESC=C1CN(C)C(=O)N1CCCC
InChIInChI=1S/C9H16N2O/c1-4-5-6-11-8(2)7-10(3)9(11)12/h2,4-7H2,1,3H3
InChIKeyQGRKPBBZBKMCAP-UHFFFAOYSA-N
XLogP1.67
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-methyl-4-methylideneimidazolidin-2-one?
The IUPAC name of 3-butyl-1-methyl-4-methylideneimidazolidin-2-one (CID 89278898) is 3-butyl-1-methyl-4-methylideneimidazolidin-2-one.
What is the SMILES notation for 3-butyl-1-methyl-4-methylideneimidazolidin-2-one?
The canonical SMILES for 3-butyl-1-methyl-4-methylideneimidazolidin-2-one is C=C1CN(C)C(=O)N1CCCC.
What is the InChIKey of 3-butyl-1-methyl-4-methylideneimidazolidin-2-one?
The InChIKey is QGRKPBBZBKMCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-5-6-11-8(2)7-10(3)9(11)12/h2,4-7H2,1,3H3.
What are the key properties of 3-butyl-1-methyl-4-methylideneimidazolidin-2-one?
3-butyl-1-methyl-4-methylideneimidazolidin-2-one has a molecular weight of 168.24 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-methyl-4-methylideneimidazolidin-2-one is sourced from PubChem (CID 89278898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).