1-[(5E)-5-but-2-enylidene-4-methylidene-1H-pyrrol-3-yl]-2-methylpropan-2-amine

C13H20N2 — CID 71124311

IUPAC1-[(5E)-5-but-2-enylidene-4-methylidene-1H-pyrrol-3-yl]-2-methylpropan-2-amine
SMILESC=c1c(CC(C)(C)N)c[nH]/c1=C/C=CC
InChIInChI=1S/C13H20N2/c1-5-6-7-12-10(2)11(9-15-12)8-13(3,4)14/h5-7,9,15H,2,8,14H2,1,3-4H3/b6-5?,12-7+
InChIKeySZPKVSSWSDNLJV-DOHVUMKLSA-N
MW204.32 g/mol
LogP1.06
Rot. Bonds3

About 1-[(5E)-5-but-2-enylidene-4-methylidene-1H-pyrrol-3-yl]-2-methylpropan-2-amine

1-[(5E)-5-but-2-enylidene-4-methylidene-1H-pyrrol-3-yl]-2-methylpropan-2-amine (PubChem CID 71124311) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-[(5E)-5-but-2-enylidene-4-methylidene-1H-pyrrol-3-yl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[(5E)-5-but-2-enylidene-4-methylidene-1H-pyrrol-3-yl]-2-methylpropan-2-amine
PubChem CID71124311
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-[(5E)-5-but-2-enylidene-4-methylidene-1H-pyrrol-3-yl]-2-methylpropan-2-amine
SMILESC=c1c(CC(C)(C)N)c[nH]/c1=C/C=CC
InChIInChI=1S/C13H20N2/c1-5-6-7-12-10(2)11(9-15-12)8-13(3,4)14/h5-7,9,15H,2,8,14H2,1,3-4H3/b6-5?,12-7+
InChIKeySZPKVSSWSDNLJV-DOHVUMKLSA-N
XLogP1.06
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(5E)-5-but-2-enylidene-4-methylidene-1H-pyrrol-3-yl]-2-methylpropan-2-amine?
The IUPAC name of 1-[(5E)-5-but-2-enylidene-4-methylidene-1H-pyrrol-3-yl]-2-methylpropan-2-amine (CID 71124311) is 1-[(5E)-5-but-2-enylidene-4-methylidene-1H-pyrrol-3-yl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[(5E)-5-but-2-enylidene-4-methylidene-1H-pyrrol-3-yl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[(5E)-5-but-2-enylidene-4-methylidene-1H-pyrrol-3-yl]-2-methylpropan-2-amine is C=c1c(CC(C)(C)N)c[nH]/c1=C/C=CC.
What is the InChIKey of 1-[(5E)-5-but-2-enylidene-4-methylidene-1H-pyrrol-3-yl]-2-methylpropan-2-amine?
The InChIKey is SZPKVSSWSDNLJV-DOHVUMKLSA-N. The full InChI is InChI=1S/C13H20N2/c1-5-6-7-12-10(2)11(9-15-12)8-13(3,4)14/h5-7,9,15H,2,8,14H2,1,3-4H3/b6-5?,12-7+.
What are the key properties of 1-[(5E)-5-but-2-enylidene-4-methylidene-1H-pyrrol-3-yl]-2-methylpropan-2-amine?
1-[(5E)-5-but-2-enylidene-4-methylidene-1H-pyrrol-3-yl]-2-methylpropan-2-amine has a molecular weight of 204.32 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5E)-5-but-2-enylidene-4-methylidene-1H-pyrrol-3-yl]-2-methylpropan-2-amine is sourced from PubChem (CID 71124311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).