(2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-1-ethyl-2-ethylidenepyrrole

C15H23N — CID 70831323

IUPAC(2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-1-ethyl-2-ethylidenepyrrole
SMILESC/C=c1\c(=C/C2C(C)CC2C)ccn1CC
InChIInChI=1S/C15H23N/c1-5-15-13(7-8-16(15)6-2)10-14-11(3)9-12(14)4/h5,7-8,10-12,14H,6,9H2,1-4H3/b13-10-,15-5+
InChIKeyZXNFRYZSIXYRAT-LUROVMBCSA-N
MW217.36 g/mol
LogP2.38
Rot. Bonds2

About (2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-1-ethyl-2-ethylidenepyrrole

(2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-1-ethyl-2-ethylidenepyrrole (PubChem CID 70831323) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-1-ethyl-2-ethylidenepyrrole.

Molecular Properties

Compound Name(2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-1-ethyl-2-ethylidenepyrrole
PubChem CID70831323
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-1-ethyl-2-ethylidenepyrrole
SMILESC/C=c1\c(=C/C2C(C)CC2C)ccn1CC
InChIInChI=1S/C15H23N/c1-5-15-13(7-8-16(15)6-2)10-14-11(3)9-12(14)4/h5,7-8,10-12,14H,6,9H2,1-4H3/b13-10-,15-5+
InChIKeyZXNFRYZSIXYRAT-LUROVMBCSA-N
XLogP2.38
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 52.38
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]-1-ethyl-2-ethylidenepyrrole?
The IUPAC name of (2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-1-ethyl-2-ethylidenepyrrole (CID 70831323) is (2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-1-ethyl-2-ethylidenepyrrole.
What is the SMILES notation for (2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-1-ethyl-2-ethylidenepyrrole?
The canonical SMILES for (2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-1-ethyl-2-ethylidenepyrrole is C/C=c1\c(=C/C2C(C)CC2C)ccn1CC.
What is the InChIKey of (2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-1-ethyl-2-ethylidenepyrrole?
The InChIKey is ZXNFRYZSIXYRAT-LUROVMBCSA-N. The full InChI is InChI=1S/C15H23N/c1-5-15-13(7-8-16(15)6-2)10-14-11(3)9-12(14)4/h5,7-8,10-12,14H,6,9H2,1-4H3/b13-10-,15-5+.
What are the key properties of (2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-1-ethyl-2-ethylidenepyrrole?
(2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-1-ethyl-2-ethylidenepyrrole has a molecular weight of 217.36 g/mol, XLogP of 2.38, 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]-1-ethyl-2-ethylidenepyrrole is sourced from PubChem (CID 70831323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).