4-phenylbuta-1,2,3-trien-1-amine

C10H9N — CID 88847251

IUPAC4-phenylbuta-1,2,3-trien-1-amine
SMILESNC=C=C=Cc1ccccc1
InChIInChI=1S/C10H9N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-9H,11H2/b9-8+
InChIKeyIXPCMGRRQBEBEX-CMDGGOBGSA-N
MW143.19 g/mol
LogP1.93
Rot. Bonds1

About 4-phenylbuta-1,2,3-trien-1-amine

4-phenylbuta-1,2,3-trien-1-amine (PubChem CID 88847251) has the molecular formula C10H9N and a molecular weight of 143.19 g/mol. Its IUPAC name is 4-phenylbuta-1,2,3-trien-1-amine.

Molecular Properties

Compound Name4-phenylbuta-1,2,3-trien-1-amine
PubChem CID88847251
Molecular FormulaC10H9N
Molecular Weight143.19 g/mol
Exact Mass143.07
IUPAC Name4-phenylbuta-1,2,3-trien-1-amine
SMILESNC=C=C=Cc1ccccc1
InChIInChI=1S/C10H9N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-9H,11H2/b9-8+
InChIKeyIXPCMGRRQBEBEX-CMDGGOBGSA-N
XLogP1.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-phenylbuta-1,2,3-trien-1-amine?
The IUPAC name of 4-phenylbuta-1,2,3-trien-1-amine (CID 88847251) is 4-phenylbuta-1,2,3-trien-1-amine.
What is the SMILES notation for 4-phenylbuta-1,2,3-trien-1-amine?
The canonical SMILES for 4-phenylbuta-1,2,3-trien-1-amine is NC=C=C=Cc1ccccc1.
What is the InChIKey of 4-phenylbuta-1,2,3-trien-1-amine?
The InChIKey is IXPCMGRRQBEBEX-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H9N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-9H,11H2/b9-8+.
What are the key properties of 4-phenylbuta-1,2,3-trien-1-amine?
4-phenylbuta-1,2,3-trien-1-amine has a molecular weight of 143.19 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylbuta-1,2,3-trien-1-amine is sourced from PubChem (CID 88847251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).