4-amino-5-phenylpent-1-en-3-one

C11H13NO — CID 70598823

IUPAC4-amino-5-phenylpent-1-en-3-one
SMILESC=CC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C11H13NO/c1-2-11(13)10(12)8-9-6-4-3-5-7-9/h2-7,10H,1,8,12H2
InChIKeyHRKMLTZJABLTIE-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.31
Rot. Bonds4

About 4-amino-5-phenylpent-1-en-3-one

4-amino-5-phenylpent-1-en-3-one (PubChem CID 70598823) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-amino-5-phenylpent-1-en-3-one.

Molecular Properties

Compound Name4-amino-5-phenylpent-1-en-3-one
PubChem CID70598823
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name4-amino-5-phenylpent-1-en-3-one
SMILESC=CC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C11H13NO/c1-2-11(13)10(12)8-9-6-4-3-5-7-9/h2-7,10H,1,8,12H2
InChIKeyHRKMLTZJABLTIE-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
4-methyl-5-phenylpent-1-en-3-one
CID 21353103
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride
CID 174870632
CID 70476310
CID 70476310
acetylene;(2S)-2-amino-3-phenylpropanoic acid
CID 158164827
2-amino-3-phenylpropanoic acid;ethane
CID 91596942

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-phenylpent-1-en-3-one?
The IUPAC name of 4-amino-5-phenylpent-1-en-3-one (CID 70598823) is 4-amino-5-phenylpent-1-en-3-one.
What is the SMILES notation for 4-amino-5-phenylpent-1-en-3-one?
The canonical SMILES for 4-amino-5-phenylpent-1-en-3-one is C=CC(=O)C(N)Cc1ccccc1.
What is the InChIKey of 4-amino-5-phenylpent-1-en-3-one?
The InChIKey is HRKMLTZJABLTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-11(13)10(12)8-9-6-4-3-5-7-9/h2-7,10H,1,8,12H2.
What are the key properties of 4-amino-5-phenylpent-1-en-3-one?
4-amino-5-phenylpent-1-en-3-one has a molecular weight of 175.23 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-phenylpent-1-en-3-one is sourced from PubChem (CID 70598823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).