(2E)-1,4,4-trimethyl-2-[(2Z)-penta-2,4-dienylidene]pyrrolidine

C12H19N — CID 89193995

IUPAC(2E)-1,4,4-trimethyl-2-[(2Z)-penta-2,4-dienylidene]pyrrolidine
SMILESC=C/C=C\C=C1/CC(C)(C)CN1C
InChIInChI=1S/C12H19N/c1-5-6-7-8-11-9-12(2,3)10-13(11)4/h5-8H,1,9-10H2,2-4H3/b7-6-,11-8+
InChIKeyDSRINXYKBGTLRN-BQGCWICQSA-N
MW177.29 g/mol
LogP2.97
Rot. Bonds2

About (2E)-1,4,4-trimethyl-2-[(2Z)-penta-2,4-dienylidene]pyrrolidine

(2E)-1,4,4-trimethyl-2-[(2Z)-penta-2,4-dienylidene]pyrrolidine (PubChem CID 89193995) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (2E)-1,4,4-trimethyl-2-[(2Z)-penta-2,4-dienylidene]pyrrolidine.

Molecular Properties

Compound Name(2E)-1,4,4-trimethyl-2-[(2Z)-penta-2,4-dienylidene]pyrrolidine
PubChem CID89193995
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(2E)-1,4,4-trimethyl-2-[(2Z)-penta-2,4-dienylidene]pyrrolidine
SMILESC=C/C=C\C=C1/CC(C)(C)CN1C
InChIInChI=1S/C12H19N/c1-5-6-7-8-11-9-12(2,3)10-13(11)4/h5-8H,1,9-10H2,2-4H3/b7-6-,11-8+
InChIKeyDSRINXYKBGTLRN-BQGCWICQSA-N
XLogP2.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-1,4,4-trimethyl-2-[(2Z)-penta-2,4-dienylidene]pyrrolidine?
The IUPAC name of (2E)-1,4,4-trimethyl-2-[(2Z)-penta-2,4-dienylidene]pyrrolidine (CID 89193995) is (2E)-1,4,4-trimethyl-2-[(2Z)-penta-2,4-dienylidene]pyrrolidine.
What is the SMILES notation for (2E)-1,4,4-trimethyl-2-[(2Z)-penta-2,4-dienylidene]pyrrolidine?
The canonical SMILES for (2E)-1,4,4-trimethyl-2-[(2Z)-penta-2,4-dienylidene]pyrrolidine is C=C/C=C\C=C1/CC(C)(C)CN1C.
What is the InChIKey of (2E)-1,4,4-trimethyl-2-[(2Z)-penta-2,4-dienylidene]pyrrolidine?
The InChIKey is DSRINXYKBGTLRN-BQGCWICQSA-N. The full InChI is InChI=1S/C12H19N/c1-5-6-7-8-11-9-12(2,3)10-13(11)4/h5-8H,1,9-10H2,2-4H3/b7-6-,11-8+.
What are the key properties of (2E)-1,4,4-trimethyl-2-[(2Z)-penta-2,4-dienylidene]pyrrolidine?
(2E)-1,4,4-trimethyl-2-[(2Z)-penta-2,4-dienylidene]pyrrolidine has a molecular weight of 177.29 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1,4,4-trimethyl-2-[(2Z)-penta-2,4-dienylidene]pyrrolidine is sourced from PubChem (CID 89193995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).