(2E)-2-but-3-en-2-ylidene-6-methyl-3-methylidenepyridine;ethane

C13H19N — CID 142890522

IUPAC(2E)-2-but-3-en-2-ylidene-6-methyl-3-methylidenepyridine;ethane
SMILESC=C/C(C)=c1/nc(C)ccc1=C.CC
InChIInChI=1S/C11H13N.C2H6/c1-5-8(2)11-9(3)6-7-10(4)12-11;1-2/h5-7H,1,3H2,2,4H3;1-2H3/b11-8+;
InChIKeyNGGZADVNURKFTP-YGCVIUNWSA-N
MW189.30 g/mol
LogP2.18
Rot. Bonds1

About (2E)-2-but-3-en-2-ylidene-6-methyl-3-methylidenepyridine;ethane

(2E)-2-but-3-en-2-ylidene-6-methyl-3-methylidenepyridine;ethane (PubChem CID 142890522) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (2E)-2-but-3-en-2-ylidene-6-methyl-3-methylidenepyridine;ethane.

Molecular Properties

Compound Name(2E)-2-but-3-en-2-ylidene-6-methyl-3-methylidenepyridine;ethane
PubChem CID142890522
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(2E)-2-but-3-en-2-ylidene-6-methyl-3-methylidenepyridine;ethane
SMILESC=C/C(C)=c1/nc(C)ccc1=C.CC
InChIInChI=1S/C11H13N.C2H6/c1-5-8(2)11-9(3)6-7-10(4)12-11;1-2/h5-7H,1,3H2,2,4H3;1-2H3/b11-8+;
InChIKeyNGGZADVNURKFTP-YGCVIUNWSA-N
XLogP2.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-N-[(3E,5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,3,5-trien-3-yl]pent-3-en-2-imine
CID 139518460
(2Z)-2-(1-fluoroprop-2-enylidene)-6-methyl-3-methylidenepyridine
CID 145600919
(3Z,5Z)-5-methyl-N-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)hepta-3,5-dien-2-imine
CID 156649093
(Z)-N-[(1E,3E)-1-fluoro-4-methylhexa-1,3,5-trienyl]pent-3-en-2-imine
CID 174097154
2-Methyl-6-methylene indole
CID 177865505
(E)-N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-5,5,5-trifluoro-4-methylpent-3-en-2-imine
CID 142147282
N-[(3Z,5Z,7E)-7-fluoro-3-methylnona-3,5,7-trien-4-yl]butan-2-imine
CID 142507841
N-[(3Z,6E,8Z)-7-fluoro-8-methyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]propan-2-imine
CID 143736303
3,9,15-Trimethyl-2,8,14-triazatetracyclo[14.2.2.24,7.210,13]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
CID 10689287
N-methyl-4-methylidenecyclohexa-2,5-dien-1-imine
CID 12561442
N-(3-methylbenzene-6-id-1-yl)ethanimine;vanadium(2+)
CID 20652965
N-(2-methylbenzene-6-id-1-yl)ethanimine;vanadium(2+)
CID 20652967

Frequently Asked Questions

What is the IUPAC name of (2E)-2-but-3-en-2-ylidene-6-methyl-3-methylidenepyridine;ethane?
The IUPAC name of (2E)-2-but-3-en-2-ylidene-6-methyl-3-methylidenepyridine;ethane (CID 142890522) is (2E)-2-but-3-en-2-ylidene-6-methyl-3-methylidenepyridine;ethane.
What is the SMILES notation for (2E)-2-but-3-en-2-ylidene-6-methyl-3-methylidenepyridine;ethane?
The canonical SMILES for (2E)-2-but-3-en-2-ylidene-6-methyl-3-methylidenepyridine;ethane is C=C/C(C)=c1/nc(C)ccc1=C.CC.
What is the InChIKey of (2E)-2-but-3-en-2-ylidene-6-methyl-3-methylidenepyridine;ethane?
The InChIKey is NGGZADVNURKFTP-YGCVIUNWSA-N. The full InChI is InChI=1S/C11H13N.C2H6/c1-5-8(2)11-9(3)6-7-10(4)12-11;1-2/h5-7H,1,3H2,2,4H3;1-2H3/b11-8+;.
What are the key properties of (2E)-2-but-3-en-2-ylidene-6-methyl-3-methylidenepyridine;ethane?
(2E)-2-but-3-en-2-ylidene-6-methyl-3-methylidenepyridine;ethane has a molecular weight of 189.30 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-but-3-en-2-ylidene-6-methyl-3-methylidenepyridine;ethane is sourced from PubChem (CID 142890522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).