(4E,5E)-4,5-di(ethylidene)-1H-pyrrol-3-ol

C8H11NO — CID 134194664

IUPAC(4E,5E)-4,5-di(ethylidene)-1H-pyrrol-3-ol
SMILESC/C=c1/[nH]cc(O)/c1=C/C
InChIInChI=1S/C8H11NO/c1-3-6-7(4-2)9-5-8(6)10/h3-5,9-10H,1-2H3/b6-3+,7-4+
InChIKeySUASMBBMACVZAC-XOKGJFMYSA-N
MW137.18 g/mol
LogP0.32
Rot. Bonds

About (4E,5E)-4,5-di(ethylidene)-1H-pyrrol-3-ol

(4E,5E)-4,5-di(ethylidene)-1H-pyrrol-3-ol (PubChem CID 134194664) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (4E,5E)-4,5-di(ethylidene)-1H-pyrrol-3-ol.

Molecular Properties

Compound Name(4E,5E)-4,5-di(ethylidene)-1H-pyrrol-3-ol
PubChem CID134194664
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(4E,5E)-4,5-di(ethylidene)-1H-pyrrol-3-ol
SMILESC/C=c1/[nH]cc(O)/c1=C/C
InChIInChI=1S/C8H11NO/c1-3-6-7(4-2)9-5-8(6)10/h3-5,9-10H,1-2H3/b6-3+,7-4+
InChIKeySUASMBBMACVZAC-XOKGJFMYSA-N
XLogP0.32
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4,5-di(ethylidene)-1H-pyrrol-3-ol?
The IUPAC name of (4E,5E)-4,5-di(ethylidene)-1H-pyrrol-3-ol (CID 134194664) is (4E,5E)-4,5-di(ethylidene)-1H-pyrrol-3-ol.
What is the SMILES notation for (4E,5E)-4,5-di(ethylidene)-1H-pyrrol-3-ol?
The canonical SMILES for (4E,5E)-4,5-di(ethylidene)-1H-pyrrol-3-ol is C/C=c1/[nH]cc(O)/c1=C/C.
What is the InChIKey of (4E,5E)-4,5-di(ethylidene)-1H-pyrrol-3-ol?
The InChIKey is SUASMBBMACVZAC-XOKGJFMYSA-N. The full InChI is InChI=1S/C8H11NO/c1-3-6-7(4-2)9-5-8(6)10/h3-5,9-10H,1-2H3/b6-3+,7-4+.
What are the key properties of (4E,5E)-4,5-di(ethylidene)-1H-pyrrol-3-ol?
(4E,5E)-4,5-di(ethylidene)-1H-pyrrol-3-ol has a molecular weight of 137.18 g/mol, XLogP of 0.32, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4,5-di(ethylidene)-1H-pyrrol-3-ol is sourced from PubChem (CID 134194664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).