(3Z)-3-(3,3-dimethyl-2-methylidenebutylidene)-2-methylidenepyridine

C13H17N — CID 142422995

IUPAC(3Z)-3-(3,3-dimethyl-2-methylidenebutylidene)-2-methylidenepyridine
SMILESC=C(/C=c1/cccnc1=C)C(C)(C)C
InChIInChI=1S/C13H17N/c1-10(13(3,4)5)9-12-7-6-8-14-11(12)2/h6-9H,1-2H2,3-5H3/b12-9-
InChIKeyLRRIOAPOBJBWIW-XFXZXTDPSA-N
MW187.29 g/mol
LogP1.87
Rot. Bonds1

About (3Z)-3-(3,3-dimethyl-2-methylidenebutylidene)-2-methylidenepyridine

(3Z)-3-(3,3-dimethyl-2-methylidenebutylidene)-2-methylidenepyridine (PubChem CID 142422995) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (3Z)-3-(3,3-dimethyl-2-methylidenebutylidene)-2-methylidenepyridine.

Molecular Properties

Compound Name(3Z)-3-(3,3-dimethyl-2-methylidenebutylidene)-2-methylidenepyridine
PubChem CID142422995
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(3Z)-3-(3,3-dimethyl-2-methylidenebutylidene)-2-methylidenepyridine
SMILESC=C(/C=c1/cccnc1=C)C(C)(C)C
InChIInChI=1S/C13H17N/c1-10(13(3,4)5)9-12-7-6-8-14-11(12)2/h6-9H,1-2H2,3-5H3/b12-9-
InChIKeyLRRIOAPOBJBWIW-XFXZXTDPSA-N
XLogP1.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(3,3-dimethyl-2-methylidenebutylidene)-2-methylidenepyridine?
The IUPAC name of (3Z)-3-(3,3-dimethyl-2-methylidenebutylidene)-2-methylidenepyridine (CID 142422995) is (3Z)-3-(3,3-dimethyl-2-methylidenebutylidene)-2-methylidenepyridine.
What is the SMILES notation for (3Z)-3-(3,3-dimethyl-2-methylidenebutylidene)-2-methylidenepyridine?
The canonical SMILES for (3Z)-3-(3,3-dimethyl-2-methylidenebutylidene)-2-methylidenepyridine is C=C(/C=c1/cccnc1=C)C(C)(C)C.
What is the InChIKey of (3Z)-3-(3,3-dimethyl-2-methylidenebutylidene)-2-methylidenepyridine?
The InChIKey is LRRIOAPOBJBWIW-XFXZXTDPSA-N. The full InChI is InChI=1S/C13H17N/c1-10(13(3,4)5)9-12-7-6-8-14-11(12)2/h6-9H,1-2H2,3-5H3/b12-9-.
What are the key properties of (3Z)-3-(3,3-dimethyl-2-methylidenebutylidene)-2-methylidenepyridine?
(3Z)-3-(3,3-dimethyl-2-methylidenebutylidene)-2-methylidenepyridine has a molecular weight of 187.29 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(3,3-dimethyl-2-methylidenebutylidene)-2-methylidenepyridine is sourced from PubChem (CID 142422995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).