(E,1Z)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-en-2-amine

C9H12N2 — CID 89071295

IUPAC(E,1Z)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-en-2-amine
SMILESC=c1[nH]cc/c1=C/C(N)=C\C
InChIInChI=1S/C9H12N2/c1-3-9(10)6-8-4-5-11-7(8)2/h3-6,11H,2,10H2,1H3/b8-6-,9-3+
InChIKeyKQTHSOWLVMYSPU-FTYJLKAESA-N
MW148.21 g/mol
LogP0.07
Rot. Bonds1

About (E,1Z)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-en-2-amine

(E,1Z)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-en-2-amine (PubChem CID 89071295) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (E,1Z)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-en-2-amine.

Molecular Properties

Compound Name(E,1Z)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-en-2-amine
PubChem CID89071295
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(E,1Z)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-en-2-amine
SMILESC=c1[nH]cc/c1=C/C(N)=C\C
InChIInChI=1S/C9H12N2/c1-3-9(10)6-8-4-5-11-7(8)2/h3-6,11H,2,10H2,1H3/b8-6-,9-3+
InChIKeyKQTHSOWLVMYSPU-FTYJLKAESA-N
XLogP0.07
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E,1Z)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-en-2-amine?
The IUPAC name of (E,1Z)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-en-2-amine (CID 89071295) is (E,1Z)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-en-2-amine.
What is the SMILES notation for (E,1Z)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-en-2-amine?
The canonical SMILES for (E,1Z)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-en-2-amine is C=c1[nH]cc/c1=C/C(N)=C\C.
What is the InChIKey of (E,1Z)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-en-2-amine?
The InChIKey is KQTHSOWLVMYSPU-FTYJLKAESA-N. The full InChI is InChI=1S/C9H12N2/c1-3-9(10)6-8-4-5-11-7(8)2/h3-6,11H,2,10H2,1H3/b8-6-,9-3+.
What are the key properties of (E,1Z)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-en-2-amine?
(E,1Z)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-en-2-amine has a molecular weight of 148.21 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1Z)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-en-2-amine is sourced from PubChem (CID 89071295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).