(3Z)-3-(2-methoxy-3-methylbut-2-enylidene)-2-methylidene-1H-pyrrole

C11H15NO — CID 134417055

IUPAC(3Z)-3-(2-methoxy-3-methylbut-2-enylidene)-2-methylidene-1H-pyrrole
SMILESC=c1[nH]cc/c1=C/C(OC)=C(C)C
InChIInChI=1S/C11H15NO/c1-8(2)11(13-4)7-10-5-6-12-9(10)3/h5-7,12H,3H2,1-2,4H3/b10-7-
InChIKeyOJXBJUCLDXNHPB-YFHOEESVSA-N
MW177.25 g/mol
LogP1.15
Rot. Bonds2

About (3Z)-3-(2-methoxy-3-methylbut-2-enylidene)-2-methylidene-1H-pyrrole

(3Z)-3-(2-methoxy-3-methylbut-2-enylidene)-2-methylidene-1H-pyrrole (PubChem CID 134417055) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (3Z)-3-(2-methoxy-3-methylbut-2-enylidene)-2-methylidene-1H-pyrrole.

Molecular Properties

Compound Name(3Z)-3-(2-methoxy-3-methylbut-2-enylidene)-2-methylidene-1H-pyrrole
PubChem CID134417055
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(3Z)-3-(2-methoxy-3-methylbut-2-enylidene)-2-methylidene-1H-pyrrole
SMILESC=c1[nH]cc/c1=C/C(OC)=C(C)C
InChIInChI=1S/C11H15NO/c1-8(2)11(13-4)7-10-5-6-12-9(10)3/h5-7,12H,3H2,1-2,4H3/b10-7-
InChIKeyOJXBJUCLDXNHPB-YFHOEESVSA-N
XLogP1.15
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(2-methoxy-3-methylbut-2-enylidene)-2-methylidene-1H-pyrrole?
The IUPAC name of (3Z)-3-(2-methoxy-3-methylbut-2-enylidene)-2-methylidene-1H-pyrrole (CID 134417055) is (3Z)-3-(2-methoxy-3-methylbut-2-enylidene)-2-methylidene-1H-pyrrole.
What is the SMILES notation for (3Z)-3-(2-methoxy-3-methylbut-2-enylidene)-2-methylidene-1H-pyrrole?
The canonical SMILES for (3Z)-3-(2-methoxy-3-methylbut-2-enylidene)-2-methylidene-1H-pyrrole is C=c1[nH]cc/c1=C/C(OC)=C(C)C.
What is the InChIKey of (3Z)-3-(2-methoxy-3-methylbut-2-enylidene)-2-methylidene-1H-pyrrole?
The InChIKey is OJXBJUCLDXNHPB-YFHOEESVSA-N. The full InChI is InChI=1S/C11H15NO/c1-8(2)11(13-4)7-10-5-6-12-9(10)3/h5-7,12H,3H2,1-2,4H3/b10-7-.
What are the key properties of (3Z)-3-(2-methoxy-3-methylbut-2-enylidene)-2-methylidene-1H-pyrrole?
(3Z)-3-(2-methoxy-3-methylbut-2-enylidene)-2-methylidene-1H-pyrrole has a molecular weight of 177.25 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(2-methoxy-3-methylbut-2-enylidene)-2-methylidene-1H-pyrrole is sourced from PubChem (CID 134417055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).