(2E,3Z,5Z,8Z,10Z)-2-but-3-enylidene-3-ethylidene-12-methylidene-7H-cyclodeca[b]pyridine

C20H21N — CID 142848419

IUPAC(2E,3Z,5Z,8Z,10Z)-2-but-3-enylidene-3-ethylidene-12-methylidene-7H-cyclodeca[b]pyridine
SMILESC=CC/C=c1/nc2c(c/c1=C/C)/C=C\C/C=C\C=C/C2=C
InChIInChI=1S/C20H21N/c1-4-6-14-19-17(5-2)15-18-13-11-9-7-8-10-12-16(3)20(18)21-19/h4-5,7-8,10-15H,1,3,6,9H2,2H3/b8-7-,12-10-,13-11-,17-5-,19-14+
InChIKeyAITOVIHPJSNKLO-IPPLLUCISA-N
MW275.39 g/mol
LogP3.78
Rot. Bonds2

About (2E,3Z,5Z,8Z,10Z)-2-but-3-enylidene-3-ethylidene-12-methylidene-7H-cyclodeca[b]pyridine

(2E,3Z,5Z,8Z,10Z)-2-but-3-enylidene-3-ethylidene-12-methylidene-7H-cyclodeca[b]pyridine (PubChem CID 142848419) has the molecular formula C20H21N and a molecular weight of 275.39 g/mol. Its IUPAC name is (2E,3Z,5Z,8Z,10Z)-2-but-3-enylidene-3-ethylidene-12-methylidene-7H-cyclodeca[b]pyridine.

Molecular Properties

Compound Name(2E,3Z,5Z,8Z,10Z)-2-but-3-enylidene-3-ethylidene-12-methylidene-7H-cyclodeca[b]pyridine
PubChem CID142848419
Molecular FormulaC20H21N
Molecular Weight275.39 g/mol
Exact Mass275.17
IUPAC Name(2E,3Z,5Z,8Z,10Z)-2-but-3-enylidene-3-ethylidene-12-methylidene-7H-cyclodeca[b]pyridine
SMILESC=CC/C=c1/nc2c(c/c1=C/C)/C=C\C/C=C\C=C/C2=C
InChIInChI=1S/C20H21N/c1-4-6-14-19-17(5-2)15-18-13-11-9-7-8-10-12-16(3)20(18)21-19/h4-5,7-8,10-15H,1,3,6,9H2,2H3/b8-7-,12-10-,13-11-,17-5-,19-14+
InChIKeyAITOVIHPJSNKLO-IPPLLUCISA-N
XLogP3.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z,5Z,8Z,10Z)-2-but-3-enylidene-3-ethylidene-12-methylidene-7H-cyclodeca[b]pyridine?
The IUPAC name of (2E,3Z,5Z,8Z,10Z)-2-but-3-enylidene-3-ethylidene-12-methylidene-7H-cyclodeca[b]pyridine (CID 142848419) is (2E,3Z,5Z,8Z,10Z)-2-but-3-enylidene-3-ethylidene-12-methylidene-7H-cyclodeca[b]pyridine.
What is the SMILES notation for (2E,3Z,5Z,8Z,10Z)-2-but-3-enylidene-3-ethylidene-12-methylidene-7H-cyclodeca[b]pyridine?
The canonical SMILES for (2E,3Z,5Z,8Z,10Z)-2-but-3-enylidene-3-ethylidene-12-methylidene-7H-cyclodeca[b]pyridine is C=CC/C=c1/nc2c(c/c1=C/C)/C=C\C/C=C\C=C/C2=C.
What is the InChIKey of (2E,3Z,5Z,8Z,10Z)-2-but-3-enylidene-3-ethylidene-12-methylidene-7H-cyclodeca[b]pyridine?
The InChIKey is AITOVIHPJSNKLO-IPPLLUCISA-N. The full InChI is InChI=1S/C20H21N/c1-4-6-14-19-17(5-2)15-18-13-11-9-7-8-10-12-16(3)20(18)21-19/h4-5,7-8,10-15H,1,3,6,9H2,2H3/b8-7-,12-10-,13-11-,17-5-,19-14+.
What are the key properties of (2E,3Z,5Z,8Z,10Z)-2-but-3-enylidene-3-ethylidene-12-methylidene-7H-cyclodeca[b]pyridine?
(2E,3Z,5Z,8Z,10Z)-2-but-3-enylidene-3-ethylidene-12-methylidene-7H-cyclodeca[b]pyridine has a molecular weight of 275.39 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z,5Z,8Z,10Z)-2-but-3-enylidene-3-ethylidene-12-methylidene-7H-cyclodeca[b]pyridine is sourced from PubChem (CID 142848419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).