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

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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).