ethane;(5Z)-5-ethylidene-4-methylidene-1H-pyrrole-2-carboxylic acid

C10H15NO2 — CID 166140081

IUPACethane;(5Z)-5-ethylidene-4-methylidene-1H-pyrrole-2-carboxylic acid
SMILESC=c1cc(C(=O)O)[nH]/c1=C\C.CC
InChIInChI=1S/C8H9NO2.C2H6/c1-3-6-5(2)4-7(9-6)8(10)11;1-2/h3-4,9H,2H2,1H3,(H,10,11);1-2H3/b6-3-;
InChIKeyMUGKMGMCPSLTSN-AQPBACSKSA-N
MW181.23 g/mol
LogP0.95
Rot. Bonds1

About ethane;(5Z)-5-ethylidene-4-methylidene-1H-pyrrole-2-carboxylic acid

ethane;(5Z)-5-ethylidene-4-methylidene-1H-pyrrole-2-carboxylic acid (PubChem CID 166140081) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is ethane;(5Z)-5-ethylidene-4-methylidene-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Nameethane;(5Z)-5-ethylidene-4-methylidene-1H-pyrrole-2-carboxylic acid
PubChem CID166140081
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Nameethane;(5Z)-5-ethylidene-4-methylidene-1H-pyrrole-2-carboxylic acid
SMILESC=c1cc(C(=O)O)[nH]/c1=C\C.CC
InChIInChI=1S/C8H9NO2.C2H6/c1-3-6-5(2)4-7(9-6)8(10)11;1-2/h3-4,9H,2H2,1H3,(H,10,11);1-2H3/b6-3-;
InChIKeyMUGKMGMCPSLTSN-AQPBACSKSA-N
XLogP0.95
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;4-oxo-1H-pyridine-2,6-dicarboxylic acid
CID 143267178
4-ethenyl-5-methyl-1H-pyrrole-2-carboxylic acid
CID 143604934
methanol;4-oxo-1H-pyridine-2,6-dicarboxylic acid
CID 139061373
ethane;(4Z,5Z)-4-ethylidene-5-(1-nitroethylidene)-1H-pyrrole-2-carboxylic acid
CID 142079616
ethane;methyl (4Z,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrole-2-carboxylate
CID 145311762
5-chloro-1H-indole-2-carboxylic acid;ethane
CID 143173847
4-amino-5-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 82413397
ethane;1H-indole-2-carboxylic acid
CID 91052830
4,7-dioxo-1H-indole-2-carboxylic acid
CID 54496594
2,4-dioxo-1H-pyrimidine-6-carboxylic acid;nickel
CID 174829099
1H-indole-2,4,6-tricarboxylic acid
CID 24729635
2-methyl-1H-imidazole-5-carboxylic acid;dihydrate
CID 69419539

Frequently Asked Questions

What is the IUPAC name of ethane;(5Z)-5-ethylidene-4-methylidene-1H-pyrrole-2-carboxylic acid?
The IUPAC name of ethane;(5Z)-5-ethylidene-4-methylidene-1H-pyrrole-2-carboxylic acid (CID 166140081) is ethane;(5Z)-5-ethylidene-4-methylidene-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for ethane;(5Z)-5-ethylidene-4-methylidene-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for ethane;(5Z)-5-ethylidene-4-methylidene-1H-pyrrole-2-carboxylic acid is C=c1cc(C(=O)O)[nH]/c1=C\C.CC.
What is the InChIKey of ethane;(5Z)-5-ethylidene-4-methylidene-1H-pyrrole-2-carboxylic acid?
The InChIKey is MUGKMGMCPSLTSN-AQPBACSKSA-N. The full InChI is InChI=1S/C8H9NO2.C2H6/c1-3-6-5(2)4-7(9-6)8(10)11;1-2/h3-4,9H,2H2,1H3,(H,10,11);1-2H3/b6-3-;.
What are the key properties of ethane;(5Z)-5-ethylidene-4-methylidene-1H-pyrrole-2-carboxylic acid?
ethane;(5Z)-5-ethylidene-4-methylidene-1H-pyrrole-2-carboxylic acid has a molecular weight of 181.23 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z)-5-ethylidene-4-methylidene-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 166140081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).