(2R,3S)-3-amino-2-phenylpent-4-enal

C11H13NO — CID 170084967

IUPAC(2R,3S)-3-amino-2-phenylpent-4-enal
SMILESC=C[C@H](N)[C@H](C=O)c1ccccc1
InChIInChI=1S/C11H13NO/c1-2-11(12)10(8-13)9-6-4-3-5-7-9/h2-8,10-11H,1,12H2/t10-,11+/m1/s1
InChIKeyYHVCURBZKUODIH-MNOVXSKESA-N
MW175.23 g/mol
LogP1.48
Rot. Bonds4

About (2R,3S)-3-amino-2-phenylpent-4-enal

(2R,3S)-3-amino-2-phenylpent-4-enal (PubChem CID 170084967) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (2R,3S)-3-amino-2-phenylpent-4-enal.

Molecular Properties

Compound Name(2R,3S)-3-amino-2-phenylpent-4-enal
PubChem CID170084967
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(2R,3S)-3-amino-2-phenylpent-4-enal
SMILESC=C[C@H](N)[C@H](C=O)c1ccccc1
InChIInChI=1S/C11H13NO/c1-2-11(12)10(8-13)9-6-4-3-5-7-9/h2-8,10-11H,1,12H2/t10-,11+/m1/s1
InChIKeyYHVCURBZKUODIH-MNOVXSKESA-N
XLogP1.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene
CID 12573330
(1R,2S)-2-amino-1-phenylbut-3-en-1-ol
CID 10942782
(E,2S,3R)-2,3-diphenylhex-4-enal
CID 101207780
dimethyl 2-(2-oxo-1-phenylethyl)propanedioate
CID 10933918
penta-1,4-dien-3-ylbenzene
CID 15879286
(2S)-2-methyl-3-phenylpent-4-enoic acid
CID 70506498
2-benzyl-3-phenylbutanedial
CID 175505778
tert-butyl 2-amino-3-phenylpent-4-enoate
CID 154715254
ethene;(5E)-5-ethylidene-4-phenyloct-1-en-3-amine
CID 145052903
3-anilino-2-phenylbutanal
CID 155933998
3,3-diethoxy-2-phenylpropanal
CID 174566751
ethenylsulfonyl(phenyl)methanamine
CID 154324940

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-2-phenylpent-4-enal?
The IUPAC name of (2R,3S)-3-amino-2-phenylpent-4-enal (CID 170084967) is (2R,3S)-3-amino-2-phenylpent-4-enal.
What is the SMILES notation for (2R,3S)-3-amino-2-phenylpent-4-enal?
The canonical SMILES for (2R,3S)-3-amino-2-phenylpent-4-enal is C=C[C@H](N)[C@H](C=O)c1ccccc1.
What is the InChIKey of (2R,3S)-3-amino-2-phenylpent-4-enal?
The InChIKey is YHVCURBZKUODIH-MNOVXSKESA-N. The full InChI is InChI=1S/C11H13NO/c1-2-11(12)10(8-13)9-6-4-3-5-7-9/h2-8,10-11H,1,12H2/t10-,11+/m1/s1.
What are the key properties of (2R,3S)-3-amino-2-phenylpent-4-enal?
(2R,3S)-3-amino-2-phenylpent-4-enal has a molecular weight of 175.23 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-2-phenylpent-4-enal is sourced from PubChem (CID 170084967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).