(2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-2-ethylidene-1-propan-2-ylpyrrole

C16H25N — CID 71188366

IUPAC(2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-2-ethylidene-1-propan-2-ylpyrrole
SMILESC/C=c1\c(=C/C2C(C)CC2C)ccn1C(C)C
InChIInChI=1S/C16H25N/c1-6-16-14(7-8-17(16)11(2)3)10-15-12(4)9-13(15)5/h6-8,10-13,15H,9H2,1-5H3/b14-10-,16-6+
InChIKeyGDENEAXCQCIAME-RRNXWBRGSA-N
MW231.38 g/mol
LogP2.94
Rot. Bonds2

About (2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-2-ethylidene-1-propan-2-ylpyrrole

(2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-2-ethylidene-1-propan-2-ylpyrrole (PubChem CID 71188366) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is (2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-2-ethylidene-1-propan-2-ylpyrrole.

Molecular Properties

Compound Name(2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-2-ethylidene-1-propan-2-ylpyrrole
PubChem CID71188366
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name(2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-2-ethylidene-1-propan-2-ylpyrrole
SMILESC/C=c1\c(=C/C2C(C)CC2C)ccn1C(C)C
InChIInChI=1S/C16H25N/c1-6-16-14(7-8-17(16)11(2)3)10-15-12(4)9-13(15)5/h6-8,10-13,15H,9H2,1-5H3/b14-10-,16-6+
InChIKeyGDENEAXCQCIAME-RRNXWBRGSA-N
XLogP2.94
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-2-ethylidene-1-propan-2-ylpyrrole?
The IUPAC name of (2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-2-ethylidene-1-propan-2-ylpyrrole (CID 71188366) is (2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-2-ethylidene-1-propan-2-ylpyrrole.
What is the SMILES notation for (2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-2-ethylidene-1-propan-2-ylpyrrole?
The canonical SMILES for (2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-2-ethylidene-1-propan-2-ylpyrrole is C/C=c1\c(=C/C2C(C)CC2C)ccn1C(C)C.
What is the InChIKey of (2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-2-ethylidene-1-propan-2-ylpyrrole?
The InChIKey is GDENEAXCQCIAME-RRNXWBRGSA-N. The full InChI is InChI=1S/C16H25N/c1-6-16-14(7-8-17(16)11(2)3)10-15-12(4)9-13(15)5/h6-8,10-13,15H,9H2,1-5H3/b14-10-,16-6+.
What are the key properties of (2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-2-ethylidene-1-propan-2-ylpyrrole?
(2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-2-ethylidene-1-propan-2-ylpyrrole has a molecular weight of 231.38 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-2-ethylidene-1-propan-2-ylpyrrole is sourced from PubChem (CID 71188366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).