2-phenylbuta-2,3-dien-1-amine

C10H11N — CID 12937833

IUPAC2-phenylbuta-2,3-dien-1-amine
SMILESC=C=C(CN)c1ccccc1
InChIInChI=1S/C10H11N/c1-2-9(8-11)10-6-4-3-5-7-10/h3-7H,1,8,11H2
InChIKeyYYKWNDZETHOUJQ-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.81
Rot. Bonds2

About 2-phenylbuta-2,3-dien-1-amine

2-phenylbuta-2,3-dien-1-amine (PubChem CID 12937833) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-phenylbuta-2,3-dien-1-amine.

Molecular Properties

Compound Name2-phenylbuta-2,3-dien-1-amine
PubChem CID12937833
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name2-phenylbuta-2,3-dien-1-amine
SMILESC=C=C(CN)c1ccccc1
InChIInChI=1S/C10H11N/c1-2-9(8-11)10-6-4-3-5-7-10/h3-7H,1,8,11H2
InChIKeyYYKWNDZETHOUJQ-UHFFFAOYSA-N
XLogP1.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenylbuta-2,3-dien-1-amine?
The IUPAC name of 2-phenylbuta-2,3-dien-1-amine (CID 12937833) is 2-phenylbuta-2,3-dien-1-amine.
What is the SMILES notation for 2-phenylbuta-2,3-dien-1-amine?
The canonical SMILES for 2-phenylbuta-2,3-dien-1-amine is C=C=C(CN)c1ccccc1.
What is the InChIKey of 2-phenylbuta-2,3-dien-1-amine?
The InChIKey is YYKWNDZETHOUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-2-9(8-11)10-6-4-3-5-7-10/h3-7H,1,8,11H2.
What are the key properties of 2-phenylbuta-2,3-dien-1-amine?
2-phenylbuta-2,3-dien-1-amine has a molecular weight of 145.20 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylbuta-2,3-dien-1-amine is sourced from PubChem (CID 12937833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).