3-methyl-2-propyl-6H-furo[3,4-d]imidazol-4-one

C9H12N2O2 — CID 141050614

IUPAC3-methyl-2-propyl-6H-furo[3,4-d]imidazol-4-one
SMILESCCCc1nc2c(n1C)C(=O)OC2
InChIInChI=1S/C9H12N2O2/c1-3-4-7-10-6-5-13-9(12)8(6)11(7)2/h3-5H2,1-2H3
InChIKeyJAQHTDUOYYLKIG-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.04
Rot. Bonds2

About 3-methyl-2-propyl-6H-furo[3,4-d]imidazol-4-one

3-methyl-2-propyl-6H-furo[3,4-d]imidazol-4-one (PubChem CID 141050614) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-methyl-2-propyl-6H-furo[3,4-d]imidazol-4-one.

Molecular Properties

Compound Name3-methyl-2-propyl-6H-furo[3,4-d]imidazol-4-one
PubChem CID141050614
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-methyl-2-propyl-6H-furo[3,4-d]imidazol-4-one
SMILESCCCc1nc2c(n1C)C(=O)OC2
InChIInChI=1S/C9H12N2O2/c1-3-4-7-10-6-5-13-9(12)8(6)11(7)2/h3-5H2,1-2H3
InChIKeyJAQHTDUOYYLKIG-UHFFFAOYSA-N
XLogP1.04
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propyl-6H-furo[3,4-d]imidazol-4-one?
The IUPAC name of 3-methyl-2-propyl-6H-furo[3,4-d]imidazol-4-one (CID 141050614) is 3-methyl-2-propyl-6H-furo[3,4-d]imidazol-4-one.
What is the SMILES notation for 3-methyl-2-propyl-6H-furo[3,4-d]imidazol-4-one?
The canonical SMILES for 3-methyl-2-propyl-6H-furo[3,4-d]imidazol-4-one is CCCc1nc2c(n1C)C(=O)OC2.
What is the InChIKey of 3-methyl-2-propyl-6H-furo[3,4-d]imidazol-4-one?
The InChIKey is JAQHTDUOYYLKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-3-4-7-10-6-5-13-9(12)8(6)11(7)2/h3-5H2,1-2H3.
What are the key properties of 3-methyl-2-propyl-6H-furo[3,4-d]imidazol-4-one?
3-methyl-2-propyl-6H-furo[3,4-d]imidazol-4-one has a molecular weight of 180.21 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propyl-6H-furo[3,4-d]imidazol-4-one is sourced from PubChem (CID 141050614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).