1-methyl-5-(1H-pyrrol-3-yl)imidazolidin-2-one

C8H11N3O — CID 116855920

IUPAC1-methyl-5-(1H-pyrrol-3-yl)imidazolidin-2-one
SMILESCN1C(=O)NCC1c1cc[nH]c1
InChIInChI=1S/C8H11N3O/c1-11-7(5-10-8(11)12)6-2-3-9-4-6/h2-4,7,9H,5H2,1H3,(H,10,12)
InChIKeyTYCAJIQOGJCPLQ-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.71
Rot. Bonds1

About 1-methyl-5-(1H-pyrrol-3-yl)imidazolidin-2-one

1-methyl-5-(1H-pyrrol-3-yl)imidazolidin-2-one (PubChem CID 116855920) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 1-methyl-5-(1H-pyrrol-3-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-5-(1H-pyrrol-3-yl)imidazolidin-2-one
PubChem CID116855920
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name1-methyl-5-(1H-pyrrol-3-yl)imidazolidin-2-one
SMILESCN1C(=O)NCC1c1cc[nH]c1
InChIInChI=1S/C8H11N3O/c1-11-7(5-10-8(11)12)6-2-3-9-4-6/h2-4,7,9H,5H2,1H3,(H,10,12)
InChIKeyTYCAJIQOGJCPLQ-UHFFFAOYSA-N
XLogP0.71
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-[3-(aminomethyl)phenyl]-1-methylimidazolidin-2-one
CID 105457665
5-[3,5-bis(trifluoromethyl)phenyl]-1-methylimidazolidin-2-one
CID 88580189
1-(2-hydroxyethyl)-3-methyl-4-(1H-pyrrol-3-yl)imidazolidin-2-one
CID 116981951
3-methyl-1-(2-pyrrolidin-3-ylethyl)-4-(1H-pyrrol-3-yl)imidazolidin-2-one
CID 116982754
1-methyl-5-(2,3,4-trimethylphenyl)imidazolidin-2-one
CID 116855973
1-(3-hydroxypropyl)-3-methyl-4-(1H-pyrrol-3-yl)imidazolidin-2-one
CID 116981988
1-methyl-5-(1H-pyrrol-3-yl)piperazin-2-one
CID 83696039
2-(1H-pyrrol-3-yl)piperazine-1-carboxamide;dihydrochloride
CID 141146320
3-[3-methyl-2-oxo-4-(1H-pyrrol-3-yl)imidazolidin-1-yl]butanoic acid
CID 116982139
6-(4-fluorophenyl)-1-methyl-1,3-diazinan-2-one
CID 86649305
5-(1-benzothiophen-3-yl)-1-methylimidazolidin-2-one
CID 116855972
5-(1H-pyrrol-3-yl)cyclohexane-1,3-dione
CID 89089611

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(1H-pyrrol-3-yl)imidazolidin-2-one?
The IUPAC name of 1-methyl-5-(1H-pyrrol-3-yl)imidazolidin-2-one (CID 116855920) is 1-methyl-5-(1H-pyrrol-3-yl)imidazolidin-2-one.
What is the SMILES notation for 1-methyl-5-(1H-pyrrol-3-yl)imidazolidin-2-one?
The canonical SMILES for 1-methyl-5-(1H-pyrrol-3-yl)imidazolidin-2-one is CN1C(=O)NCC1c1cc[nH]c1.
What is the InChIKey of 1-methyl-5-(1H-pyrrol-3-yl)imidazolidin-2-one?
The InChIKey is TYCAJIQOGJCPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-11-7(5-10-8(11)12)6-2-3-9-4-6/h2-4,7,9H,5H2,1H3,(H,10,12).
What are the key properties of 1-methyl-5-(1H-pyrrol-3-yl)imidazolidin-2-one?
1-methyl-5-(1H-pyrrol-3-yl)imidazolidin-2-one has a molecular weight of 165.20 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(1H-pyrrol-3-yl)imidazolidin-2-one is sourced from PubChem (CID 116855920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).