2-methyl-3-[(4Z)-5-methylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]propan-1-ol

C12H17NO — CID 143794576

IUPAC2-methyl-3-[(4Z)-5-methylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]propan-1-ol
SMILESC=C/C=c1/c(CC(C)CO)c[nH]c1=C
InChIInChI=1S/C12H17NO/c1-4-5-12-10(3)13-7-11(12)6-9(2)8-14/h4-5,7,9,13-14H,1,3,6,8H2,2H3/b12-5+
InChIKeyMQGLHZLPUYQLOX-LFYBBSHMSA-N
MW191.27 g/mol
LogP0.56
Rot. Bonds4

About 2-methyl-3-[(4Z)-5-methylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]propan-1-ol

2-methyl-3-[(4Z)-5-methylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]propan-1-ol (PubChem CID 143794576) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-methyl-3-[(4Z)-5-methylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[(4Z)-5-methylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]propan-1-ol
PubChem CID143794576
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-methyl-3-[(4Z)-5-methylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]propan-1-ol
SMILESC=C/C=c1/c(CC(C)CO)c[nH]c1=C
InChIInChI=1S/C12H17NO/c1-4-5-12-10(3)13-7-11(12)6-9(2)8-14/h4-5,7,9,13-14H,1,3,6,8H2,2H3/b12-5+
InChIKeyMQGLHZLPUYQLOX-LFYBBSHMSA-N
XLogP0.56
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-methyl-3-[(4Z)-5-methylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]propan-1-ol with MolForge

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Related Compounds

3-(2-ethylphenyl)-2-methylpropan-1-ol
CID 23398441
(5Z,6E)-3-(2-methylpropyl)-5,6-bis(prop-2-enylidene)pyridin-2-one
CID 174163471
2-[3,4-bis(2-methylpropyl)-1H-pyrrol-2-yl]-3,4-bis(2-methylpropyl)-1H-pyrrole
CID 102186147
ethene;2-methyl-3-(2-methylphenyl)propan-1-ol;phenylmethanediol
CID 144861751
4-[(2S)-3-hydroxy-2-methylpropyl]-2,5-dimethylphenol
CID 130612651
4-fluoro-2-(3-hydroxy-2-methylpropyl)phenol
CID 73102234
methanol;(2S)-2-methylpent-4-en-1-ol
CID 143099829
3-(1H-indol-3-yl)-2-methylpropan-1-ol;1-[4-methyl-3-(3-propan-2-ylphenyl)phenyl]ethanone
CID 143405683
ethane;2-methylpropane-1,3-diol
CID 87127502
3-[2-(1-hydroxyethyl)-1H-pyrrol-3-yl]propane-1,2-diol
CID 57221099
3-(2-amino-5-chloro-3-pyridinyl)-2-methylpropan-1-ol
CID 64666699
6-methyl-3-(2-methylpropyl)-2-prop-2-enylphenol
CID 19012738

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(4Z)-5-methylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]propan-1-ol?
The IUPAC name of 2-methyl-3-[(4Z)-5-methylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]propan-1-ol (CID 143794576) is 2-methyl-3-[(4Z)-5-methylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[(4Z)-5-methylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]propan-1-ol?
The canonical SMILES for 2-methyl-3-[(4Z)-5-methylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]propan-1-ol is C=C/C=c1/c(CC(C)CO)c[nH]c1=C.
What is the InChIKey of 2-methyl-3-[(4Z)-5-methylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]propan-1-ol?
The InChIKey is MQGLHZLPUYQLOX-LFYBBSHMSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-5-12-10(3)13-7-11(12)6-9(2)8-14/h4-5,7,9,13-14H,1,3,6,8H2,2H3/b12-5+.
What are the key properties of 2-methyl-3-[(4Z)-5-methylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]propan-1-ol?
2-methyl-3-[(4Z)-5-methylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]propan-1-ol has a molecular weight of 191.27 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(4Z)-5-methylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]propan-1-ol is sourced from PubChem (CID 143794576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).