(5E)-3-(1-methylcyclopentyl)-4-methylidene-5-prop-2-enylidenepyridine

C15H19N — CID 170176758

IUPAC(5E)-3-(1-methylcyclopentyl)-4-methylidene-5-prop-2-enylidenepyridine
SMILESC=C/C=c1/cncc(C2(C)CCCC2)c1=C
InChIInChI=1S/C15H19N/c1-4-7-13-10-16-11-14(12(13)2)15(3)8-5-6-9-15/h4,7,10-11H,1-2,5-6,8-9H2,3H3/b13-7-
InChIKeyOTQAFCCXQBPERW-QPEQYQDCSA-N
MW213.32 g/mol
LogP2.29
Rot. Bonds2

About (5E)-3-(1-methylcyclopentyl)-4-methylidene-5-prop-2-enylidenepyridine

(5E)-3-(1-methylcyclopentyl)-4-methylidene-5-prop-2-enylidenepyridine (PubChem CID 170176758) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is (5E)-3-(1-methylcyclopentyl)-4-methylidene-5-prop-2-enylidenepyridine.

Molecular Properties

Compound Name(5E)-3-(1-methylcyclopentyl)-4-methylidene-5-prop-2-enylidenepyridine
PubChem CID170176758
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name(5E)-3-(1-methylcyclopentyl)-4-methylidene-5-prop-2-enylidenepyridine
SMILESC=C/C=c1/cncc(C2(C)CCCC2)c1=C
InChIInChI=1S/C15H19N/c1-4-7-13-10-16-11-14(12(13)2)15(3)8-5-6-9-15/h4,7,10-11H,1-2,5-6,8-9H2,3H3/b13-7-
InChIKeyOTQAFCCXQBPERW-QPEQYQDCSA-N
XLogP2.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5E)-3-(1-methylcyclopentyl)-4-methylidene-5-prop-2-enylidenepyridine?
The IUPAC name of (5E)-3-(1-methylcyclopentyl)-4-methylidene-5-prop-2-enylidenepyridine (CID 170176758) is (5E)-3-(1-methylcyclopentyl)-4-methylidene-5-prop-2-enylidenepyridine.
What is the SMILES notation for (5E)-3-(1-methylcyclopentyl)-4-methylidene-5-prop-2-enylidenepyridine?
The canonical SMILES for (5E)-3-(1-methylcyclopentyl)-4-methylidene-5-prop-2-enylidenepyridine is C=C/C=c1/cncc(C2(C)CCCC2)c1=C.
What is the InChIKey of (5E)-3-(1-methylcyclopentyl)-4-methylidene-5-prop-2-enylidenepyridine?
The InChIKey is OTQAFCCXQBPERW-QPEQYQDCSA-N. The full InChI is InChI=1S/C15H19N/c1-4-7-13-10-16-11-14(12(13)2)15(3)8-5-6-9-15/h4,7,10-11H,1-2,5-6,8-9H2,3H3/b13-7-.
What are the key properties of (5E)-3-(1-methylcyclopentyl)-4-methylidene-5-prop-2-enylidenepyridine?
(5E)-3-(1-methylcyclopentyl)-4-methylidene-5-prop-2-enylidenepyridine has a molecular weight of 213.32 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(1-methylcyclopentyl)-4-methylidene-5-prop-2-enylidenepyridine is sourced from PubChem (CID 170176758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).