(3S,4R)-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol

C10H17NO2 — CID 145054727

IUPAC(3S,4R)-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol
SMILESCC(C)=C1N=C(C(C)C)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H17NO2/c1-5(2)7-9(12)10(13)8(11-7)6(3)4/h5,9-10,12-13H,1-4H3/t9-,10+/m0/s1
InChIKeyFITSFVWYYQOESZ-VHSXEESVSA-N
MW183.25 g/mol
LogP1.11
Rot. Bonds1

About (3S,4R)-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol

(3S,4R)-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol (PubChem CID 145054727) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (3S,4R)-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol.

Molecular Properties

Compound Name(3S,4R)-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol
PubChem CID145054727
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(3S,4R)-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol
SMILESCC(C)=C1N=C(C(C)C)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H17NO2/c1-5(2)7-9(12)10(13)8(11-7)6(3)4/h5,9-10,12-13H,1-4H3/t9-,10+/m0/s1
InChIKeyFITSFVWYYQOESZ-VHSXEESVSA-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

Analyze (3S,4R)-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol?
The IUPAC name of (3S,4R)-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol (CID 145054727) is (3S,4R)-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol.
What is the SMILES notation for (3S,4R)-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol?
The canonical SMILES for (3S,4R)-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol is CC(C)=C1N=C(C(C)C)[C@H](O)[C@@H]1O.
What is the InChIKey of (3S,4R)-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol?
The InChIKey is FITSFVWYYQOESZ-VHSXEESVSA-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/t9-,10+/m0/s1.
What are the key properties of (3S,4R)-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol?
(3S,4R)-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 (3S,4R)-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol is sourced from PubChem (CID 145054727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).