methyl (4E,5E)-2-methyl-5-prop-2-enylidene-4-propylidenepyridine-3-carboxylate

C14H17NO2 — CID 143393436

IUPACmethyl (4E,5E)-2-methyl-5-prop-2-enylidene-4-propylidenepyridine-3-carboxylate
SMILESC=C/C=c1/cnc(C)c(C(=O)OC)/c1=C/CC
InChIInChI=1S/C14H17NO2/c1-5-7-11-9-15-10(3)13(14(16)17-4)12(11)8-6-2/h5,7-9H,1,6H2,2-4H3/b11-7-,12-8+
InChIKeyMSCYMGJUWCSREI-NTLHZVPKSA-N
MW231.29 g/mol
LogP1.33
Rot. Bonds3

About methyl (4E,5E)-2-methyl-5-prop-2-enylidene-4-propylidenepyridine-3-carboxylate

methyl (4E,5E)-2-methyl-5-prop-2-enylidene-4-propylidenepyridine-3-carboxylate (PubChem CID 143393436) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is methyl (4E,5E)-2-methyl-5-prop-2-enylidene-4-propylidenepyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl (4E,5E)-2-methyl-5-prop-2-enylidene-4-propylidenepyridine-3-carboxylate
PubChem CID143393436
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Namemethyl (4E,5E)-2-methyl-5-prop-2-enylidene-4-propylidenepyridine-3-carboxylate
SMILESC=C/C=c1/cnc(C)c(C(=O)OC)/c1=C/CC
InChIInChI=1S/C14H17NO2/c1-5-7-11-9-15-10(3)13(14(16)17-4)12(11)8-6-2/h5,7-9H,1,6H2,2-4H3/b11-7-,12-8+
InChIKeyMSCYMGJUWCSREI-NTLHZVPKSA-N
XLogP1.33
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;methyl 3-[(Z,2Z)-2-ethylidenepent-3-enyl]-6,7-dihydroquinoline-4-carboxylate
CID 142020367
methyl (2E)-2-[(3E)-2-methyl-5-methyliminopenta-1,3-dien-3-yl]penta-2,4-dienoate
CID 143301130
ethane;methyl (4E,5E)-2-methyl-5-prop-2-enylidene-4-propylidenepyridine-3-carboxylate
CID 143393435
ethane;methyl (4E,5E)-5-ethylidene-4-prop-2-enylidenepyridine-3-carboxylate
CID 144503758
Methyl 5-amino-3-methylidene-4-(methyliminomethyl)-2-propan-2-ylidenepent-4-enoate
CID 173977053
methyl 3-[(Z,2Z)-2-ethylidenepent-3-enyl]-6,7-dihydroquinoline-4-carboxylate
CID 142020368
propyl (2E,3Z,5E)-4-[(Z)-but-1-enyl]-2-ethylidene-5-methyl-3-[(Z)-1-methyliminobut-2-en-2-yl]octa-3,5-dienoate
CID 142587155
methyl (4E,5E)-5-ethylidene-4-prop-2-enylidenepyridine-3-carboxylate
CID 144503759

Frequently Asked Questions

What is the IUPAC name of methyl (4E,5E)-2-methyl-5-prop-2-enylidene-4-propylidenepyridine-3-carboxylate?
The IUPAC name of methyl (4E,5E)-2-methyl-5-prop-2-enylidene-4-propylidenepyridine-3-carboxylate (CID 143393436) is methyl (4E,5E)-2-methyl-5-prop-2-enylidene-4-propylidenepyridine-3-carboxylate.
What is the SMILES notation for methyl (4E,5E)-2-methyl-5-prop-2-enylidene-4-propylidenepyridine-3-carboxylate?
The canonical SMILES for methyl (4E,5E)-2-methyl-5-prop-2-enylidene-4-propylidenepyridine-3-carboxylate is C=C/C=c1/cnc(C)c(C(=O)OC)/c1=C/CC.
What is the InChIKey of methyl (4E,5E)-2-methyl-5-prop-2-enylidene-4-propylidenepyridine-3-carboxylate?
The InChIKey is MSCYMGJUWCSREI-NTLHZVPKSA-N. The full InChI is InChI=1S/C14H17NO2/c1-5-7-11-9-15-10(3)13(14(16)17-4)12(11)8-6-2/h5,7-9H,1,6H2,2-4H3/b11-7-,12-8+.
What are the key properties of methyl (4E,5E)-2-methyl-5-prop-2-enylidene-4-propylidenepyridine-3-carboxylate?
methyl (4E,5E)-2-methyl-5-prop-2-enylidene-4-propylidenepyridine-3-carboxylate has a molecular weight of 231.29 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4E,5E)-2-methyl-5-prop-2-enylidene-4-propylidenepyridine-3-carboxylate is sourced from PubChem (CID 143393436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).