1-propan-2-yl-3-propylimidazol-2-one

C9H16N2O — CID 23555511

IUPAC1-propan-2-yl-3-propylimidazol-2-one
SMILESCCCn1ccn(C(C)C)c1=O
InChIInChI=1S/C9H16N2O/c1-4-5-10-6-7-11(8(2)3)9(10)12/h6-8H,4-5H2,1-3H3
InChIKeyXWBMKLIWVVEUBX-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.64
Rot. Bonds3

About 1-propan-2-yl-3-propylimidazol-2-one

1-propan-2-yl-3-propylimidazol-2-one (PubChem CID 23555511) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-propan-2-yl-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-propan-2-yl-3-propylimidazol-2-one
PubChem CID23555511
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-propan-2-yl-3-propylimidazol-2-one
SMILESCCCn1ccn(C(C)C)c1=O
InChIInChI=1S/C9H16N2O/c1-4-5-10-6-7-11(8(2)3)9(10)12/h6-8H,4-5H2,1-3H3
InChIKeyXWBMKLIWVVEUBX-UHFFFAOYSA-N
XLogP1.64
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-propylimidazol-2-one?
The IUPAC name of 1-propan-2-yl-3-propylimidazol-2-one (CID 23555511) is 1-propan-2-yl-3-propylimidazol-2-one.
What is the SMILES notation for 1-propan-2-yl-3-propylimidazol-2-one?
The canonical SMILES for 1-propan-2-yl-3-propylimidazol-2-one is CCCn1ccn(C(C)C)c1=O.
What is the InChIKey of 1-propan-2-yl-3-propylimidazol-2-one?
The InChIKey is XWBMKLIWVVEUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-5-10-6-7-11(8(2)3)9(10)12/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-propan-2-yl-3-propylimidazol-2-one?
1-propan-2-yl-3-propylimidazol-2-one has a molecular weight of 168.24 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-propylimidazol-2-one is sourced from PubChem (CID 23555511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).