6-(3-ethylidene-1H-pyrrol-2-ylidene)-5-methylhex-4-en-3-ol

C13H19NO — CID 90833187

IUPAC6-(3-ethylidene-1H-pyrrol-2-ylidene)-5-methylhex-4-en-3-ol
SMILESCC=c1cc[nH]c1=CC(C)=CC(O)CC
InChIInChI=1S/C13H19NO/c1-4-11-6-7-14-13(11)9-10(3)8-12(15)5-2/h4,6-9,12,14-15H,5H2,1-3H3
InChIKeyZAMPUHFGKKQVBS-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.31
Rot. Bonds3

About 6-(3-ethylidene-1H-pyrrol-2-ylidene)-5-methylhex-4-en-3-ol

6-(3-ethylidene-1H-pyrrol-2-ylidene)-5-methylhex-4-en-3-ol (PubChem CID 90833187) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 6-(3-ethylidene-1H-pyrrol-2-ylidene)-5-methylhex-4-en-3-ol.

Molecular Properties

Compound Name6-(3-ethylidene-1H-pyrrol-2-ylidene)-5-methylhex-4-en-3-ol
PubChem CID90833187
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name6-(3-ethylidene-1H-pyrrol-2-ylidene)-5-methylhex-4-en-3-ol
SMILESCC=c1cc[nH]c1=CC(C)=CC(O)CC
InChIInChI=1S/C13H19NO/c1-4-11-6-7-14-13(11)9-10(3)8-12(15)5-2/h4,6-9,12,14-15H,5H2,1-3H3
InChIKeyZAMPUHFGKKQVBS-UHFFFAOYSA-N
XLogP1.31
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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2-[(4Z,5Z)-4-[(Z)-but-2-enylidene]-5-(2-hydroxypropylidene)-1H-pyrrol-3-yl]acetonitrile
CID 70865669
[(4Z)-4-[(Z)-but-2-enylidene]-5-methylidene-1H-pyrrol-3-yl]methanol
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1-(1H-azepin-4-yl)ethanol
CID 89156860
(Z)-4-(2,6-dimethyl-1,2-dihydropyridin-4-yl)-3-methylbut-3-en-2-ol
CID 118396522
(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrol-3-ol
CID 129035735
(2S,3Z,5Z,7E)-7-methyl-3-(methylamino)nona-3,5,7-trien-2-ol
CID 130224027
3-methyl-5,6-dihydro-1H-indole-5,6-diol
CID 130281203
(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrrol-3-ol
CID 139516748
CID 141811207
CID 141811207
5-Azatricyclo[9.4.0.03,8]pentadeca-1,3(8),6,10,12,14-hexaen-9-ol
CID 141851696

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethylidene-1H-pyrrol-2-ylidene)-5-methylhex-4-en-3-ol?
The IUPAC name of 6-(3-ethylidene-1H-pyrrol-2-ylidene)-5-methylhex-4-en-3-ol (CID 90833187) is 6-(3-ethylidene-1H-pyrrol-2-ylidene)-5-methylhex-4-en-3-ol.
What is the SMILES notation for 6-(3-ethylidene-1H-pyrrol-2-ylidene)-5-methylhex-4-en-3-ol?
The canonical SMILES for 6-(3-ethylidene-1H-pyrrol-2-ylidene)-5-methylhex-4-en-3-ol is CC=c1cc[nH]c1=CC(C)=CC(O)CC.
What is the InChIKey of 6-(3-ethylidene-1H-pyrrol-2-ylidene)-5-methylhex-4-en-3-ol?
The InChIKey is ZAMPUHFGKKQVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-11-6-7-14-13(11)9-10(3)8-12(15)5-2/h4,6-9,12,14-15H,5H2,1-3H3.
What are the key properties of 6-(3-ethylidene-1H-pyrrol-2-ylidene)-5-methylhex-4-en-3-ol?
6-(3-ethylidene-1H-pyrrol-2-ylidene)-5-methylhex-4-en-3-ol has a molecular weight of 205.30 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethylidene-1H-pyrrol-2-ylidene)-5-methylhex-4-en-3-ol is sourced from PubChem (CID 90833187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).