1-methyl-3-[(3S)-pyrrolidin-3-yl]imidazolidin-2-one

C8H15N3O — CID 96631898

IUPAC1-methyl-3-[(3S)-pyrrolidin-3-yl]imidazolidin-2-one
SMILESCN1CCN([C@H]2CCNC2)C1=O
InChIInChI=1S/C8H15N3O/c1-10-4-5-11(8(10)12)7-2-3-9-6-7/h7,9H,2-6H2,1H3/t7-/m0/s1
InChIKeyVNWJKJBLKBOKCA-ZETCQYMHSA-N
MW169.23 g/mol
LogP-0.28
Rot. Bonds1

About 1-methyl-3-[(3S)-pyrrolidin-3-yl]imidazolidin-2-one

1-methyl-3-[(3S)-pyrrolidin-3-yl]imidazolidin-2-one (PubChem CID 96631898) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-methyl-3-[(3S)-pyrrolidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(3S)-pyrrolidin-3-yl]imidazolidin-2-one
PubChem CID96631898
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-methyl-3-[(3S)-pyrrolidin-3-yl]imidazolidin-2-one
SMILESCN1CCN([C@H]2CCNC2)C1=O
InChIInChI=1S/C8H15N3O/c1-10-4-5-11(8(10)12)7-2-3-9-6-7/h7,9H,2-6H2,1H3/t7-/m0/s1
InChIKeyVNWJKJBLKBOKCA-ZETCQYMHSA-N
XLogP-0.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-piperidin-3-ylimidazolidin-2-one;trihydrochloride
CID 175684354
1-methyl-3-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride
CID 118115291
1-cyclopropyl-3-piperidin-3-ylimidazolidin-2-one;hydrochloride
CID 118115296
1-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-2-one
CID 84798422
1-benzyl-3-pyrrolidin-3-ylimidazolidin-2-one
CID 82384888
3-bromo-1-[(3R)-pyrrolidin-3-yl]pyrrolidin-2-one
CID 58430301
1-(3-aminocyclopentyl)-3-methylimidazolidin-2-one
CID 83817265
1-pyrrolidin-3-ylpiperidin-2-one
CID 62329305
1-ethyl-3-piperidin-4-ylimidazolidin-2-one;hydrochloride
CID 54593098
4-(1-methylpiperidin-3-yl)-1-pyrrolidin-3-ylimidazolidin-2-one
CID 116978996
1-[(3R)-piperidin-3-yl]-3-propan-2-yl-1,3-diazinan-2-one
CID 125041151
[4-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexyl]carbamic acid
CID 139369115

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3S)-pyrrolidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-methyl-3-[(3S)-pyrrolidin-3-yl]imidazolidin-2-one (CID 96631898) is 1-methyl-3-[(3S)-pyrrolidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-methyl-3-[(3S)-pyrrolidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-methyl-3-[(3S)-pyrrolidin-3-yl]imidazolidin-2-one is CN1CCN([C@H]2CCNC2)C1=O.
What is the InChIKey of 1-methyl-3-[(3S)-pyrrolidin-3-yl]imidazolidin-2-one?
The InChIKey is VNWJKJBLKBOKCA-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15N3O/c1-10-4-5-11(8(10)12)7-2-3-9-6-7/h7,9H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of 1-methyl-3-[(3S)-pyrrolidin-3-yl]imidazolidin-2-one?
1-methyl-3-[(3S)-pyrrolidin-3-yl]imidazolidin-2-one has a molecular weight of 169.23 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3S)-pyrrolidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 96631898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).