6,6-dimethyl-2-propyl-1H-furo[3,4-d]imidazol-4-one;hydrochloride

C10H15ClN2O2 — CID 141050615

IUPAC6,6-dimethyl-2-propyl-1H-furo[3,4-d]imidazol-4-one;hydrochloride
SMILESCCCc1nc2c([nH]1)C(C)(C)OC2=O.Cl
InChIInChI=1S/C10H14N2O2.ClH/c1-4-5-6-11-7-8(12-6)10(2,3)14-9(7)13;/h4-5H2,1-3H3,(H,11,12);1H
InChIKeyBEDCBPKQGDQHIX-UHFFFAOYSA-N
MW230.69 g/mol
LogP2.19
Rot. Bonds2

About 6,6-dimethyl-2-propyl-1H-furo[3,4-d]imidazol-4-one;hydrochloride

6,6-dimethyl-2-propyl-1H-furo[3,4-d]imidazol-4-one;hydrochloride (PubChem CID 141050615) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 6,6-dimethyl-2-propyl-1H-furo[3,4-d]imidazol-4-one;hydrochloride.

Molecular Properties

Compound Name6,6-dimethyl-2-propyl-1H-furo[3,4-d]imidazol-4-one;hydrochloride
PubChem CID141050615
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name6,6-dimethyl-2-propyl-1H-furo[3,4-d]imidazol-4-one;hydrochloride
SMILESCCCc1nc2c([nH]1)C(C)(C)OC2=O.Cl
InChIInChI=1S/C10H14N2O2.ClH/c1-4-5-6-11-7-8(12-6)10(2,3)14-9(7)13;/h4-5H2,1-3H3,(H,11,12);1H
InChIKeyBEDCBPKQGDQHIX-UHFFFAOYSA-N
XLogP2.19
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-propyl-1H-furo[3,4-d]imidazol-4-one;hydrochloride?
The IUPAC name of 6,6-dimethyl-2-propyl-1H-furo[3,4-d]imidazol-4-one;hydrochloride (CID 141050615) is 6,6-dimethyl-2-propyl-1H-furo[3,4-d]imidazol-4-one;hydrochloride.
What is the SMILES notation for 6,6-dimethyl-2-propyl-1H-furo[3,4-d]imidazol-4-one;hydrochloride?
The canonical SMILES for 6,6-dimethyl-2-propyl-1H-furo[3,4-d]imidazol-4-one;hydrochloride is CCCc1nc2c([nH]1)C(C)(C)OC2=O.Cl.
What is the InChIKey of 6,6-dimethyl-2-propyl-1H-furo[3,4-d]imidazol-4-one;hydrochloride?
The InChIKey is BEDCBPKQGDQHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2.ClH/c1-4-5-6-11-7-8(12-6)10(2,3)14-9(7)13;/h4-5H2,1-3H3,(H,11,12);1H.
What are the key properties of 6,6-dimethyl-2-propyl-1H-furo[3,4-d]imidazol-4-one;hydrochloride?
6,6-dimethyl-2-propyl-1H-furo[3,4-d]imidazol-4-one;hydrochloride has a molecular weight of 230.69 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-propyl-1H-furo[3,4-d]imidazol-4-one;hydrochloride is sourced from PubChem (CID 141050615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).