[(4Z)-4-[(Z)-but-2-enylidene]-5-methylidene-1H-pyrrol-3-yl]methanol

C10H13NO — CID 89063687

IUPAC[(4Z)-4-[(Z)-but-2-enylidene]-5-methylidene-1H-pyrrol-3-yl]methanol
SMILESC=c1[nH]cc(CO)/c1=C/C=C\C
InChIInChI=1S/C10H13NO/c1-3-4-5-10-8(2)11-6-9(10)7-12/h3-6,11-12H,2,7H2,1H3/b4-3-,10-5+
InChIKeyXDERANJVPRCVNO-DXWLQBKVSA-N
MW163.22 g/mol
LogP0.27
Rot. Bonds2

About [(4Z)-4-[(Z)-but-2-enylidene]-5-methylidene-1H-pyrrol-3-yl]methanol

[(4Z)-4-[(Z)-but-2-enylidene]-5-methylidene-1H-pyrrol-3-yl]methanol (PubChem CID 89063687) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is [(4Z)-4-[(Z)-but-2-enylidene]-5-methylidene-1H-pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[(4Z)-4-[(Z)-but-2-enylidene]-5-methylidene-1H-pyrrol-3-yl]methanol
PubChem CID89063687
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name[(4Z)-4-[(Z)-but-2-enylidene]-5-methylidene-1H-pyrrol-3-yl]methanol
SMILESC=c1[nH]cc(CO)/c1=C/C=C\C
InChIInChI=1S/C10H13NO/c1-3-4-5-10-8(2)11-6-9(10)7-12/h3-6,11-12H,2,7H2,1H3/b4-3-,10-5+
InChIKeyXDERANJVPRCVNO-DXWLQBKVSA-N
XLogP0.27
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(4Z)-4-[(Z)-but-2-enylidene]-5-methylidene-1H-pyrrol-3-yl]methanol?
The IUPAC name of [(4Z)-4-[(Z)-but-2-enylidene]-5-methylidene-1H-pyrrol-3-yl]methanol (CID 89063687) is [(4Z)-4-[(Z)-but-2-enylidene]-5-methylidene-1H-pyrrol-3-yl]methanol.
What is the SMILES notation for [(4Z)-4-[(Z)-but-2-enylidene]-5-methylidene-1H-pyrrol-3-yl]methanol?
The canonical SMILES for [(4Z)-4-[(Z)-but-2-enylidene]-5-methylidene-1H-pyrrol-3-yl]methanol is C=c1[nH]cc(CO)/c1=C/C=C\C.
What is the InChIKey of [(4Z)-4-[(Z)-but-2-enylidene]-5-methylidene-1H-pyrrol-3-yl]methanol?
The InChIKey is XDERANJVPRCVNO-DXWLQBKVSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-4-5-10-8(2)11-6-9(10)7-12/h3-6,11-12H,2,7H2,1H3/b4-3-,10-5+.
What are the key properties of [(4Z)-4-[(Z)-but-2-enylidene]-5-methylidene-1H-pyrrol-3-yl]methanol?
[(4Z)-4-[(Z)-but-2-enylidene]-5-methylidene-1H-pyrrol-3-yl]methanol has a molecular weight of 163.22 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-4-[(Z)-but-2-enylidene]-5-methylidene-1H-pyrrol-3-yl]methanol is sourced from PubChem (CID 89063687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).