ethane;(4E)-5-methylidene-4-prop-2-enylidenepyridine-3-carboxylic acid

C12H15NO2 — CID 144503764

IUPACethane;(4E)-5-methylidene-4-prop-2-enylidenepyridine-3-carboxylic acid
SMILESC=C/C=c1/c(C(=O)O)cncc1=C.CC
InChIInChI=1S/C10H9NO2.C2H6/c1-3-4-8-7(2)5-11-6-9(8)10(12)13;1-2/h3-6H,1-2H2,(H,12,13);1-2H3/b8-4+;
InChIKeyCSKRFLUWWDASNC-ZFXMFRGYSA-N
MW205.26 g/mol
LogP1.18
Rot. Bonds2

About ethane;(4E)-5-methylidene-4-prop-2-enylidenepyridine-3-carboxylic acid

ethane;(4E)-5-methylidene-4-prop-2-enylidenepyridine-3-carboxylic acid (PubChem CID 144503764) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is ethane;(4E)-5-methylidene-4-prop-2-enylidenepyridine-3-carboxylic acid.

Molecular Properties

Compound Nameethane;(4E)-5-methylidene-4-prop-2-enylidenepyridine-3-carboxylic acid
PubChem CID144503764
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Nameethane;(4E)-5-methylidene-4-prop-2-enylidenepyridine-3-carboxylic acid
SMILESC=C/C=c1/c(C(=O)O)cncc1=C.CC
InChIInChI=1S/C10H9NO2.C2H6/c1-3-4-8-7(2)5-11-6-9(8)10(12)13;1-2/h3-6H,1-2H2,(H,12,13);1-2H3/b8-4+;
InChIKeyCSKRFLUWWDASNC-ZFXMFRGYSA-N
XLogP1.18
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6H-2-benzazepine-7-carboxylic acid
CID 87594309
7H-indeno[2,1-c]pyridine-4-carboxylic acid
CID 87879625
Cyclohepta[f]indole-3-carboxylic acid
CID 118865250
Cyclohepta[f]indole-3-carboxylic acid;hydrochloride
CID 118865263
ethane;methyl (4E,5E)-5-ethylidene-4-prop-2-enylidenepyridine-3-carboxylate
CID 144503758
Pyrrolo[3,2-h][1]benzazepine-3-carboxylic acid
CID 144545400
(Z,2E)-2-[(propylideneamino)methylidene]pent-3-enoic acid
CID 146352416
Cyclopenta[f]indole-3-carboxylic acid
CID 158476587
Cyclohepta[f]indole-3-carboxylic acid;dihydrochloride
CID 160864268
(Z)-2-[(Z)-1-[(E)-2-methylbut-1-enyl]iminobut-2-en-2-yl]pent-2-enoic acid
CID 173807887
methyl (4E,5E)-5-ethylidene-4-prop-2-enylidenepyridine-3-carboxylate
CID 144503759
(4E)-5-methylidene-4-prop-2-enylidenepyridine-3-carboxylic acid
CID 144503765

Frequently Asked Questions

What is the IUPAC name of ethane;(4E)-5-methylidene-4-prop-2-enylidenepyridine-3-carboxylic acid?
The IUPAC name of ethane;(4E)-5-methylidene-4-prop-2-enylidenepyridine-3-carboxylic acid (CID 144503764) is ethane;(4E)-5-methylidene-4-prop-2-enylidenepyridine-3-carboxylic acid.
What is the SMILES notation for ethane;(4E)-5-methylidene-4-prop-2-enylidenepyridine-3-carboxylic acid?
The canonical SMILES for ethane;(4E)-5-methylidene-4-prop-2-enylidenepyridine-3-carboxylic acid is C=C/C=c1/c(C(=O)O)cncc1=C.CC.
What is the InChIKey of ethane;(4E)-5-methylidene-4-prop-2-enylidenepyridine-3-carboxylic acid?
The InChIKey is CSKRFLUWWDASNC-ZFXMFRGYSA-N. The full InChI is InChI=1S/C10H9NO2.C2H6/c1-3-4-8-7(2)5-11-6-9(8)10(12)13;1-2/h3-6H,1-2H2,(H,12,13);1-2H3/b8-4+;.
What are the key properties of ethane;(4E)-5-methylidene-4-prop-2-enylidenepyridine-3-carboxylic acid?
ethane;(4E)-5-methylidene-4-prop-2-enylidenepyridine-3-carboxylic acid has a molecular weight of 205.26 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E)-5-methylidene-4-prop-2-enylidenepyridine-3-carboxylic acid is sourced from PubChem (CID 144503764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).