(2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3,5-dimethylpyrrole

C15H20N2 — CID 5474815

IUPAC(2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3,5-dimethylpyrrole
SMILESCCC1=C(C)/C(=C/c2[nH]c(C)cc2C)N=C1C
InChIInChI=1S/C15H20N2/c1-6-13-11(4)15(17-12(13)5)8-14-9(2)7-10(3)16-14/h7-8,16H,6H2,1-5H3/b15-8-
InChIKeyJWZJUSFXXZXYIU-NVNXTCNLSA-N
MW228.34 g/mol
LogP4.17
Rot. Bonds2

About (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3,5-dimethylpyrrole

(2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3,5-dimethylpyrrole (PubChem CID 5474815) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3,5-dimethylpyrrole.

Molecular Properties

Compound Name(2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3,5-dimethylpyrrole
PubChem CID5474815
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name(2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3,5-dimethylpyrrole
SMILESCCC1=C(C)/C(=C/c2[nH]c(C)cc2C)N=C1C
InChIInChI=1S/C15H20N2/c1-6-13-11(4)15(17-12(13)5)8-14-9(2)7-10(3)16-14/h7-8,16H,6H2,1-5H3/b15-8-
InChIKeyJWZJUSFXXZXYIU-NVNXTCNLSA-N
XLogP4.17
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3,5-dimethylpyrrole?
The IUPAC name of (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3,5-dimethylpyrrole (CID 5474815) is (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3,5-dimethylpyrrole.
What is the SMILES notation for (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3,5-dimethylpyrrole?
The canonical SMILES for (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3,5-dimethylpyrrole is CCC1=C(C)/C(=C/c2[nH]c(C)cc2C)N=C1C.
What is the InChIKey of (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3,5-dimethylpyrrole?
The InChIKey is JWZJUSFXXZXYIU-NVNXTCNLSA-N. The full InChI is InChI=1S/C15H20N2/c1-6-13-11(4)15(17-12(13)5)8-14-9(2)7-10(3)16-14/h7-8,16H,6H2,1-5H3/b15-8-.
What are the key properties of (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3,5-dimethylpyrrole?
(2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3,5-dimethylpyrrole has a molecular weight of 228.34 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3,5-dimethylpyrrole is sourced from PubChem (CID 5474815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).