(4Z,5E)-4-[(2,4-dimethylcyclobutyl)methylidene]-2,3-dimethyl-5-propylidene-3H-pyrrole

C16H25N — CID 89102170

IUPAC(4Z,5E)-4-[(2,4-dimethylcyclobutyl)methylidene]-2,3-dimethyl-5-propylidene-3H-pyrrole
SMILESCC/C=C1/N=C(C)C(C)/C1=C/C1C(C)CC1C
InChIInChI=1S/C16H25N/c1-6-7-16-15(12(4)13(5)17-16)9-14-10(2)8-11(14)3/h7,9-12,14H,6,8H2,1-5H3/b15-9-,16-7+
InChIKeyDYOVTXFTWVJCAA-IPUADCPNSA-N
MW231.38 g/mol
LogP4.61
Rot. Bonds2

About (4Z,5E)-4-[(2,4-dimethylcyclobutyl)methylidene]-2,3-dimethyl-5-propylidene-3H-pyrrole

(4Z,5E)-4-[(2,4-dimethylcyclobutyl)methylidene]-2,3-dimethyl-5-propylidene-3H-pyrrole (PubChem CID 89102170) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is (4Z,5E)-4-[(2,4-dimethylcyclobutyl)methylidene]-2,3-dimethyl-5-propylidene-3H-pyrrole.

Molecular Properties

Compound Name(4Z,5E)-4-[(2,4-dimethylcyclobutyl)methylidene]-2,3-dimethyl-5-propylidene-3H-pyrrole
PubChem CID89102170
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name(4Z,5E)-4-[(2,4-dimethylcyclobutyl)methylidene]-2,3-dimethyl-5-propylidene-3H-pyrrole
SMILESCC/C=C1/N=C(C)C(C)/C1=C/C1C(C)CC1C
InChIInChI=1S/C16H25N/c1-6-7-16-15(12(4)13(5)17-16)9-14-10(2)8-11(14)3/h7,9-12,14H,6,8H2,1-5H3/b15-9-,16-7+
InChIKeyDYOVTXFTWVJCAA-IPUADCPNSA-N
XLogP4.61
TPSA12.36 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 ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-4-[(2,4-dimethylcyclobutyl)methylidene]-2,3-dimethyl-5-propylidene-3H-pyrrole?
The IUPAC name of (4Z,5E)-4-[(2,4-dimethylcyclobutyl)methylidene]-2,3-dimethyl-5-propylidene-3H-pyrrole (CID 89102170) is (4Z,5E)-4-[(2,4-dimethylcyclobutyl)methylidene]-2,3-dimethyl-5-propylidene-3H-pyrrole.
What is the SMILES notation for (4Z,5E)-4-[(2,4-dimethylcyclobutyl)methylidene]-2,3-dimethyl-5-propylidene-3H-pyrrole?
The canonical SMILES for (4Z,5E)-4-[(2,4-dimethylcyclobutyl)methylidene]-2,3-dimethyl-5-propylidene-3H-pyrrole is CC/C=C1/N=C(C)C(C)/C1=C/C1C(C)CC1C.
What is the InChIKey of (4Z,5E)-4-[(2,4-dimethylcyclobutyl)methylidene]-2,3-dimethyl-5-propylidene-3H-pyrrole?
The InChIKey is DYOVTXFTWVJCAA-IPUADCPNSA-N. The full InChI is InChI=1S/C16H25N/c1-6-7-16-15(12(4)13(5)17-16)9-14-10(2)8-11(14)3/h7,9-12,14H,6,8H2,1-5H3/b15-9-,16-7+.
What are the key properties of (4Z,5E)-4-[(2,4-dimethylcyclobutyl)methylidene]-2,3-dimethyl-5-propylidene-3H-pyrrole?
(4Z,5E)-4-[(2,4-dimethylcyclobutyl)methylidene]-2,3-dimethyl-5-propylidene-3H-pyrrole has a molecular weight of 231.38 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-4-[(2,4-dimethylcyclobutyl)methylidene]-2,3-dimethyl-5-propylidene-3H-pyrrole is sourced from PubChem (CID 89102170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).