3-[(2-methylcyclopentyl)methyl]-2,5-dipropylimidazolidin-4-one

C16H30N2O — CID 107421422

IUPAC3-[(2-methylcyclopentyl)methyl]-2,5-dipropylimidazolidin-4-one
SMILESCCCC1NC(CCC)N(CC2CCCC2C)C1=O
InChIInChI=1S/C16H30N2O/c1-4-7-14-16(19)18(15(17-14)8-5-2)11-13-10-6-9-12(13)3/h12-15,17H,4-11H2,1-3H3
InChIKeyWAAMUTWNKKVCIL-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.15
Rot. Bonds6

About 3-[(2-methylcyclopentyl)methyl]-2,5-dipropylimidazolidin-4-one

3-[(2-methylcyclopentyl)methyl]-2,5-dipropylimidazolidin-4-one (PubChem CID 107421422) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-[(2-methylcyclopentyl)methyl]-2,5-dipropylimidazolidin-4-one.

Molecular Properties

Compound Name3-[(2-methylcyclopentyl)methyl]-2,5-dipropylimidazolidin-4-one
PubChem CID107421422
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name3-[(2-methylcyclopentyl)methyl]-2,5-dipropylimidazolidin-4-one
SMILESCCCC1NC(CCC)N(CC2CCCC2C)C1=O
InChIInChI=1S/C16H30N2O/c1-4-7-14-16(19)18(15(17-14)8-5-2)11-13-10-6-9-12(13)3/h12-15,17H,4-11H2,1-3H3
InChIKeyWAAMUTWNKKVCIL-UHFFFAOYSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclopentyl)methyl]-2,5-dipropylimidazolidin-4-one?
The IUPAC name of 3-[(2-methylcyclopentyl)methyl]-2,5-dipropylimidazolidin-4-one (CID 107421422) is 3-[(2-methylcyclopentyl)methyl]-2,5-dipropylimidazolidin-4-one.
What is the SMILES notation for 3-[(2-methylcyclopentyl)methyl]-2,5-dipropylimidazolidin-4-one?
The canonical SMILES for 3-[(2-methylcyclopentyl)methyl]-2,5-dipropylimidazolidin-4-one is CCCC1NC(CCC)N(CC2CCCC2C)C1=O.
What is the InChIKey of 3-[(2-methylcyclopentyl)methyl]-2,5-dipropylimidazolidin-4-one?
The InChIKey is WAAMUTWNKKVCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-4-7-14-16(19)18(15(17-14)8-5-2)11-13-10-6-9-12(13)3/h12-15,17H,4-11H2,1-3H3.
What are the key properties of 3-[(2-methylcyclopentyl)methyl]-2,5-dipropylimidazolidin-4-one?
3-[(2-methylcyclopentyl)methyl]-2,5-dipropylimidazolidin-4-one has a molecular weight of 266.43 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclopentyl)methyl]-2,5-dipropylimidazolidin-4-one is sourced from PubChem (CID 107421422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).