3-methyl-1-(1H-pyrrol-2-ylmethyl)imidazolidin-4-one

C9H13N3O — CID 130770177

IUPAC3-methyl-1-(1H-pyrrol-2-ylmethyl)imidazolidin-4-one
SMILESCN1CN(Cc2ccc[nH]2)CC1=O
InChIInChI=1S/C9H13N3O/c1-11-7-12(6-9(11)13)5-8-3-2-4-10-8/h2-4,10H,5-7H2,1H3
InChIKeyUKSICIIONHTBQN-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.25
Rot. Bonds2

About 3-methyl-1-(1H-pyrrol-2-ylmethyl)imidazolidin-4-one

3-methyl-1-(1H-pyrrol-2-ylmethyl)imidazolidin-4-one (PubChem CID 130770177) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-methyl-1-(1H-pyrrol-2-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-methyl-1-(1H-pyrrol-2-ylmethyl)imidazolidin-4-one
PubChem CID130770177
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name3-methyl-1-(1H-pyrrol-2-ylmethyl)imidazolidin-4-one
SMILESCN1CN(Cc2ccc[nH]2)CC1=O
InChIInChI=1S/C9H13N3O/c1-11-7-12(6-9(11)13)5-8-3-2-4-10-8/h2-4,10H,5-7H2,1H3
InChIKeyUKSICIIONHTBQN-UHFFFAOYSA-N
XLogP0.25
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1H-pyrrol-2-ylmethyl)imidazolidin-4-one?
The IUPAC name of 3-methyl-1-(1H-pyrrol-2-ylmethyl)imidazolidin-4-one (CID 130770177) is 3-methyl-1-(1H-pyrrol-2-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for 3-methyl-1-(1H-pyrrol-2-ylmethyl)imidazolidin-4-one?
The canonical SMILES for 3-methyl-1-(1H-pyrrol-2-ylmethyl)imidazolidin-4-one is CN1CN(Cc2ccc[nH]2)CC1=O.
What is the InChIKey of 3-methyl-1-(1H-pyrrol-2-ylmethyl)imidazolidin-4-one?
The InChIKey is UKSICIIONHTBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-11-7-12(6-9(11)13)5-8-3-2-4-10-8/h2-4,10H,5-7H2,1H3.
What are the key properties of 3-methyl-1-(1H-pyrrol-2-ylmethyl)imidazolidin-4-one?
3-methyl-1-(1H-pyrrol-2-ylmethyl)imidazolidin-4-one has a molecular weight of 179.22 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1H-pyrrol-2-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 130770177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).