(E)-1-(2H-pyridin-1-yl)but-2-en-1-amine

C9H14N2 — CID 130303311

IUPAC(E)-1-(2H-pyridin-1-yl)but-2-en-1-amine
SMILESC/C=C/C(N)N1C=CC=CC1
InChIInChI=1S/C9H14N2/c1-2-6-9(10)11-7-4-3-5-8-11/h2-7,9H,8,10H2,1H3/b6-2+
InChIKeyYCVIJRSCBOIAHM-QHHAFSJGSA-N
MW150.22 g/mol
LogP1.23
Rot. Bonds2

About (E)-1-(2H-pyridin-1-yl)but-2-en-1-amine

(E)-1-(2H-pyridin-1-yl)but-2-en-1-amine (PubChem CID 130303311) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (E)-1-(2H-pyridin-1-yl)but-2-en-1-amine.

Molecular Properties

Compound Name(E)-1-(2H-pyridin-1-yl)but-2-en-1-amine
PubChem CID130303311
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(E)-1-(2H-pyridin-1-yl)but-2-en-1-amine
SMILESC/C=C/C(N)N1C=CC=CC1
InChIInChI=1S/C9H14N2/c1-2-6-9(10)11-7-4-3-5-8-11/h2-7,9H,8,10H2,1H3/b6-2+
InChIKeyYCVIJRSCBOIAHM-QHHAFSJGSA-N
XLogP1.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(2H-pyridin-1-yl)but-2-en-1-amine?
The IUPAC name of (E)-1-(2H-pyridin-1-yl)but-2-en-1-amine (CID 130303311) is (E)-1-(2H-pyridin-1-yl)but-2-en-1-amine.
What is the SMILES notation for (E)-1-(2H-pyridin-1-yl)but-2-en-1-amine?
The canonical SMILES for (E)-1-(2H-pyridin-1-yl)but-2-en-1-amine is C/C=C/C(N)N1C=CC=CC1.
What is the InChIKey of (E)-1-(2H-pyridin-1-yl)but-2-en-1-amine?
The InChIKey is YCVIJRSCBOIAHM-QHHAFSJGSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-6-9(10)11-7-4-3-5-8-11/h2-7,9H,8,10H2,1H3/b6-2+.
What are the key properties of (E)-1-(2H-pyridin-1-yl)but-2-en-1-amine?
(E)-1-(2H-pyridin-1-yl)but-2-en-1-amine has a molecular weight of 150.22 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2H-pyridin-1-yl)but-2-en-1-amine is sourced from PubChem (CID 130303311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).