(1R)-1-phenylbuta-2,3-dien-1-amine

C10H11N — CID 55284760

IUPAC(1R)-1-phenylbuta-2,3-dien-1-amine
SMILESC=C=C[C@@H](N)c1ccccc1
InChIInChI=1S/C10H11N/c1-2-6-10(11)9-7-4-3-5-8-9/h3-8,10H,1,11H2/t10-/m1/s1
InChIKeyTWSCZIJOLDJJQC-SNVBAGLBSA-N
MW145.20 g/mol
LogP2.03
Rot. Bonds2

About (1R)-1-phenylbuta-2,3-dien-1-amine

(1R)-1-phenylbuta-2,3-dien-1-amine (PubChem CID 55284760) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is (1R)-1-phenylbuta-2,3-dien-1-amine.

Molecular Properties

Compound Name(1R)-1-phenylbuta-2,3-dien-1-amine
PubChem CID55284760
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name(1R)-1-phenylbuta-2,3-dien-1-amine
SMILESC=C=C[C@@H](N)c1ccccc1
InChIInChI=1S/C10H11N/c1-2-6-10(11)9-7-4-3-5-8-9/h3-8,10H,1,11H2/t10-/m1/s1
InChIKeyTWSCZIJOLDJJQC-SNVBAGLBSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenylbuta-2,3-dien-1-amine?
The IUPAC name of (1R)-1-phenylbuta-2,3-dien-1-amine (CID 55284760) is (1R)-1-phenylbuta-2,3-dien-1-amine.
What is the SMILES notation for (1R)-1-phenylbuta-2,3-dien-1-amine?
The canonical SMILES for (1R)-1-phenylbuta-2,3-dien-1-amine is C=C=C[C@@H](N)c1ccccc1.
What is the InChIKey of (1R)-1-phenylbuta-2,3-dien-1-amine?
The InChIKey is TWSCZIJOLDJJQC-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H11N/c1-2-6-10(11)9-7-4-3-5-8-9/h3-8,10H,1,11H2/t10-/m1/s1.
What are the key properties of (1R)-1-phenylbuta-2,3-dien-1-amine?
(1R)-1-phenylbuta-2,3-dien-1-amine has a molecular weight of 145.20 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenylbuta-2,3-dien-1-amine is sourced from PubChem (CID 55284760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).