(2Z)-2-ethylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol

C9H15NO2 — CID 147611972

IUPAC(2Z)-2-ethylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol
SMILESC/C=C1\N=C(C(C)C)C(O)C1O
InChIInChI=1S/C9H15NO2/c1-4-6-8(11)9(12)7(10-6)5(2)3/h4-5,8-9,11-12H,1-3H3/b6-4-
InChIKeyGCEHSJSYORFKSO-XQRVVYSFSA-N
MW169.22 g/mol
LogP0.72
Rot. Bonds1

About (2Z)-2-ethylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol

(2Z)-2-ethylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol (PubChem CID 147611972) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (2Z)-2-ethylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol.

Molecular Properties

Compound Name(2Z)-2-ethylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol
PubChem CID147611972
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(2Z)-2-ethylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol
SMILESC/C=C1\N=C(C(C)C)C(O)C1O
InChIInChI=1S/C9H15NO2/c1-4-6-8(11)9(12)7(10-6)5(2)3/h4-5,8-9,11-12H,1-3H3/b6-4-
InChIKeyGCEHSJSYORFKSO-XQRVVYSFSA-N
XLogP0.72
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol
CID 134238158
(3R,4S)-2-methylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol
CID 134245209
2-Methylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol
CID 145054718
(3S,4R)-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol
CID 145054727
(3S,4S)-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol
CID 146220732
(4R)-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol
CID 147508261
(3R,4S)-4-methyl-5-propan-2-yl-2-propan-2-ylidene-3H-pyrrole-3,4-diol
CID 163444700
(2E)-2-(1-iodoethylidene)-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol
CID 163597502
(2E,3R,4S)-2-ethylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol
CID 166953923
(3S)-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole-3,4-diol
CID 166956139

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol?
The IUPAC name of (2Z)-2-ethylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol (CID 147611972) is (2Z)-2-ethylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol.
What is the SMILES notation for (2Z)-2-ethylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol?
The canonical SMILES for (2Z)-2-ethylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol is C/C=C1\N=C(C(C)C)C(O)C1O.
What is the InChIKey of (2Z)-2-ethylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol?
The InChIKey is GCEHSJSYORFKSO-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-6-8(11)9(12)7(10-6)5(2)3/h4-5,8-9,11-12H,1-3H3/b6-4-.
What are the key properties of (2Z)-2-ethylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol?
(2Z)-2-ethylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol has a molecular weight of 169.22 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethylidene-5-propan-2-yl-3,4-dihydropyrrole-3,4-diol is sourced from PubChem (CID 147611972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).