1-methyl-3-[2-(propan-2-ylamino)prop-2-enoyl]imidazolidin-2-one

C10H17N3O2 — CID 611083

IUPAC1-methyl-3-[2-(propan-2-ylamino)prop-2-enoyl]imidazolidin-2-one
SMILESC=C(NC(C)C)C(=O)N1CCN(C)C1=O
InChIInChI=1S/C10H17N3O2/c1-7(2)11-8(3)9(14)13-6-5-12(4)10(13)15/h7,11H,3,5-6H2,1-2,4H3
InChIKeyINCWYWJWKCZTEO-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.39
Rot. Bonds3

About 1-methyl-3-[2-(propan-2-ylamino)prop-2-enoyl]imidazolidin-2-one

1-methyl-3-[2-(propan-2-ylamino)prop-2-enoyl]imidazolidin-2-one (PubChem CID 611083) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-methyl-3-[2-(propan-2-ylamino)prop-2-enoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[2-(propan-2-ylamino)prop-2-enoyl]imidazolidin-2-one
PubChem CID611083
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-methyl-3-[2-(propan-2-ylamino)prop-2-enoyl]imidazolidin-2-one
SMILESC=C(NC(C)C)C(=O)N1CCN(C)C1=O
InChIInChI=1S/C10H17N3O2/c1-7(2)11-8(3)9(14)13-6-5-12(4)10(13)15/h7,11H,3,5-6H2,1-2,4H3
InChIKeyINCWYWJWKCZTEO-UHFFFAOYSA-N
XLogP0.39
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 20515698

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(propan-2-ylamino)prop-2-enoyl]imidazolidin-2-one?
The IUPAC name of 1-methyl-3-[2-(propan-2-ylamino)prop-2-enoyl]imidazolidin-2-one (CID 611083) is 1-methyl-3-[2-(propan-2-ylamino)prop-2-enoyl]imidazolidin-2-one.
What is the SMILES notation for 1-methyl-3-[2-(propan-2-ylamino)prop-2-enoyl]imidazolidin-2-one?
The canonical SMILES for 1-methyl-3-[2-(propan-2-ylamino)prop-2-enoyl]imidazolidin-2-one is C=C(NC(C)C)C(=O)N1CCN(C)C1=O.
What is the InChIKey of 1-methyl-3-[2-(propan-2-ylamino)prop-2-enoyl]imidazolidin-2-one?
The InChIKey is INCWYWJWKCZTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(2)11-8(3)9(14)13-6-5-12(4)10(13)15/h7,11H,3,5-6H2,1-2,4H3.
What are the key properties of 1-methyl-3-[2-(propan-2-ylamino)prop-2-enoyl]imidazolidin-2-one?
1-methyl-3-[2-(propan-2-ylamino)prop-2-enoyl]imidazolidin-2-one has a molecular weight of 211.26 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(propan-2-ylamino)prop-2-enoyl]imidazolidin-2-one is sourced from PubChem (CID 611083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).