2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol

C10H17NO2 — CID 134238158

IUPAC2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol
SMILESCC(C)=C1N=C(C(C)C)C(O)C1O
InChIInChI=1S/C10H17NO2/c1-5(2)7-9(12)10(13)8(11-7)6(3)4/h5,9-10,12-13H,1-4H3
InChIKeyFITSFVWYYQOESZ-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.11
Rot. Bonds1

About 2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol

2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol (PubChem CID 134238158) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol.

Molecular Properties

Compound Name2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol
PubChem CID134238158
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol
SMILESCC(C)=C1N=C(C(C)C)C(O)C1O
InChIInChI=1S/C10H17NO2/c1-5(2)7-9(12)10(13)8(11-7)6(3)4/h5,9-10,12-13H,1-4H3
InChIKeyFITSFVWYYQOESZ-UHFFFAOYSA-N
XLogP1.11
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol?
The IUPAC name of 2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol (CID 134238158) is 2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol.
What is the SMILES notation for 2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol?
The canonical SMILES for 2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol is CC(C)=C1N=C(C(C)C)C(O)C1O.
What is the InChIKey of 2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol?
The InChIKey is FITSFVWYYQOESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-5(2)7-9(12)10(13)8(11-7)6(3)4/h5,9-10,12-13H,1-4H3.
What are the key properties of 2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol?
2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol has a molecular weight of 183.25 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol is sourced from PubChem (CID 134238158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).