(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrrol-3-ol

C9H11NO — CID 139516748

IUPAC(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrrol-3-ol
SMILESC=C/C=c1/[nH]cc(O)/c1=C/C
InChIInChI=1S/C9H11NO/c1-3-5-8-7(4-2)9(11)6-10-8/h3-6,10-11H,1H2,2H3/b7-4+,8-5+
InChIKeyLHRYNVAIBAGUES-NSLJXJERSA-N
MW149.19 g/mol
LogP0.49
Rot. Bonds1

About (4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrrol-3-ol

(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrrol-3-ol (PubChem CID 139516748) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is (4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrrol-3-ol.

Molecular Properties

Compound Name(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrrol-3-ol
PubChem CID139516748
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrrol-3-ol
SMILESC=C/C=c1/[nH]cc(O)/c1=C/C
InChIInChI=1S/C9H11NO/c1-3-5-8-7(4-2)9(11)6-10-8/h3-6,10-11H,1H2,2H3/b7-4+,8-5+
InChIKeyLHRYNVAIBAGUES-NSLJXJERSA-N
XLogP0.49
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrrol-3-ol?
The IUPAC name of (4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrrol-3-ol (CID 139516748) is (4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrrol-3-ol.
What is the SMILES notation for (4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrrol-3-ol?
The canonical SMILES for (4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrrol-3-ol is C=C/C=c1/[nH]cc(O)/c1=C/C.
What is the InChIKey of (4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrrol-3-ol?
The InChIKey is LHRYNVAIBAGUES-NSLJXJERSA-N. The full InChI is InChI=1S/C9H11NO/c1-3-5-8-7(4-2)9(11)6-10-8/h3-6,10-11H,1H2,2H3/b7-4+,8-5+.
What are the key properties of (4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrrol-3-ol?
(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrrol-3-ol has a molecular weight of 149.19 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrrol-3-ol is sourced from PubChem (CID 139516748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).