5-butan-2-yl-1-(cyclopropylmethyl)-4-iminoimidazolidin-2-one

C11H19N3O — CID 138389691

IUPAC5-butan-2-yl-1-(cyclopropylmethyl)-4-iminoimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC2CC2)C1C(C)CC
InChIInChI=1S/C11H19N3O/c1-3-7(2)9-10(12)13-11(15)14(9)6-8-4-5-8/h7-9H,3-6H2,1-2H3,(H2,12,13,15)
InChIKeyPWSRLRPPVKGCQX-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.81
Rot. Bonds4

About 5-butan-2-yl-1-(cyclopropylmethyl)-4-iminoimidazolidin-2-one

5-butan-2-yl-1-(cyclopropylmethyl)-4-iminoimidazolidin-2-one (PubChem CID 138389691) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-butan-2-yl-1-(cyclopropylmethyl)-4-iminoimidazolidin-2-one.

Molecular Properties

Compound Name5-butan-2-yl-1-(cyclopropylmethyl)-4-iminoimidazolidin-2-one
PubChem CID138389691
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-butan-2-yl-1-(cyclopropylmethyl)-4-iminoimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC2CC2)C1C(C)CC
InChIInChI=1S/C11H19N3O/c1-3-7(2)9-10(12)13-11(15)14(9)6-8-4-5-8/h7-9H,3-6H2,1-2H3,(H2,12,13,15)
InChIKeyPWSRLRPPVKGCQX-UHFFFAOYSA-N
XLogP1.81
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-(cyclopropylmethyl)-4-iminoimidazolidin-2-one?
The IUPAC name of 5-butan-2-yl-1-(cyclopropylmethyl)-4-iminoimidazolidin-2-one (CID 138389691) is 5-butan-2-yl-1-(cyclopropylmethyl)-4-iminoimidazolidin-2-one.
What is the SMILES notation for 5-butan-2-yl-1-(cyclopropylmethyl)-4-iminoimidazolidin-2-one?
The canonical SMILES for 5-butan-2-yl-1-(cyclopropylmethyl)-4-iminoimidazolidin-2-one is [H]/N=C1\NC(=O)N(CC2CC2)C1C(C)CC.
What is the InChIKey of 5-butan-2-yl-1-(cyclopropylmethyl)-4-iminoimidazolidin-2-one?
The InChIKey is PWSRLRPPVKGCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-7(2)9-10(12)13-11(15)14(9)6-8-4-5-8/h7-9H,3-6H2,1-2H3,(H2,12,13,15).
What are the key properties of 5-butan-2-yl-1-(cyclopropylmethyl)-4-iminoimidazolidin-2-one?
5-butan-2-yl-1-(cyclopropylmethyl)-4-iminoimidazolidin-2-one has a molecular weight of 209.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-(cyclopropylmethyl)-4-iminoimidazolidin-2-one is sourced from PubChem (CID 138389691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).