(E,1Z)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-en-2-ol

C9H11NO — CID 142269992

IUPAC(E,1Z)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-en-2-ol
SMILESC=c1[nH]cc/c1=C/C(O)=C\C
InChIInChI=1S/C9H11NO/c1-3-9(11)6-8-4-5-10-7(8)2/h3-6,10-11H,2H2,1H3/b8-6-,9-3+
InChIKeyUXWNXPSEAHEBGZ-FTYJLKAESA-N
MW149.19 g/mol
LogP0.67
Rot. Bonds1

About (E,1Z)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-en-2-ol

(E,1Z)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-en-2-ol (PubChem CID 142269992) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is (E,1Z)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-en-2-ol.

Molecular Properties

Compound Name(E,1Z)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-en-2-ol
PubChem CID142269992
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name(E,1Z)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-en-2-ol
SMILESC=c1[nH]cc/c1=C/C(O)=C\C
InChIInChI=1S/C9H11NO/c1-3-9(11)6-8-4-5-10-7(8)2/h3-6,10-11H,2H2,1H3/b8-6-,9-3+
InChIKeyUXWNXPSEAHEBGZ-FTYJLKAESA-N
XLogP0.67
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 ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrol-3-ol
CID 129035735
(4E,5E)-4,5-di(ethylidene)-1H-pyrrol-3-ol
CID 134194664
(3Z)-3-(2-methoxy-3-methylbut-2-enylidene)-2-methylidene-1H-pyrrole
CID 134417055
(3E)-4-(ethenylamino)hexa-1,3-dien-2-ol
CID 139480973
(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrrol-3-ol
CID 139516748
1H-cyclohepta[b]pyridin-9-ol
CID 141340000
(3E)-4-methyl-5-(methylamino)hexa-1,3,5-trien-2-ol
CID 141962410
5-methyl-1H-cyclohepta[b]pyrrol-5-ol
CID 143306256
(2E,4E)-5-(methylaminomethyl)hepta-2,4,6-trien-3-ol
CID 144403368
(3Z,5Z)-3-(methylaminomethyl)octa-1,3,5,7-tetraen-4-ol
CID 155140279
CID 162361492
CID 162361492
(3Z)-4-[[(3Z)-4-amino-3-methylbuta-1,3-dien-2-yl]-methylamino]penta-1,3-dien-2-ol
CID 163374545

Frequently Asked Questions

What is the IUPAC name of (E,1Z)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-en-2-ol?
The IUPAC name of (E,1Z)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-en-2-ol (CID 142269992) is (E,1Z)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-en-2-ol.
What is the SMILES notation for (E,1Z)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-en-2-ol?
The canonical SMILES for (E,1Z)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-en-2-ol is C=c1[nH]cc/c1=C/C(O)=C\C.
What is the InChIKey of (E,1Z)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-en-2-ol?
The InChIKey is UXWNXPSEAHEBGZ-FTYJLKAESA-N. The full InChI is InChI=1S/C9H11NO/c1-3-9(11)6-8-4-5-10-7(8)2/h3-6,10-11H,2H2,1H3/b8-6-,9-3+.
What are the key properties of (E,1Z)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-en-2-ol?
(E,1Z)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-en-2-ol has a molecular weight of 149.19 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1Z)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-en-2-ol is sourced from PubChem (CID 142269992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).