3-[4-(hydroxyamino)phenyl]propanal

C9H11NO2 — CID 156884909

IUPAC3-[4-(hydroxyamino)phenyl]propanal
SMILESO=CCCc1ccc(NO)cc1
InChIInChI=1S/C9H11NO2/c11-7-1-2-8-3-5-9(10-12)6-4-8/h3-7,10,12H,1-2H2
InChIKeyKMQMKJOGAXUOOP-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.62
Rot. Bonds4

About 3-[4-(hydroxyamino)phenyl]propanal

3-[4-(hydroxyamino)phenyl]propanal (PubChem CID 156884909) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 3-[4-(hydroxyamino)phenyl]propanal.

Molecular Properties

Compound Name3-[4-(hydroxyamino)phenyl]propanal
PubChem CID156884909
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name3-[4-(hydroxyamino)phenyl]propanal
SMILESO=CCCc1ccc(NO)cc1
InChIInChI=1S/C9H11NO2/c11-7-1-2-8-3-5-9(10-12)6-4-8/h3-7,10,12H,1-2H2
InChIKeyKMQMKJOGAXUOOP-UHFFFAOYSA-N
XLogP1.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)propanal;dihydrochloride
CID 141114380
3-(4-chlorophenyl)propanal;ethane
CID 142069464
4-(3-oxopropyl)benzaldehyde
CID 12927813
3-(4-acetylphenyl)propanal
CID 11030349
7-(4-chlorophenyl)hept-4-enal
CID 91303083
3-[4-(4-methylphenyl)phenyl]propanal
CID 145376842
3-(4-tert-butylphenyl)propanal
CID 87303470
4-methyl-N-[4-(3-oxopropyl)phenyl]piperazine-1-carboxamide
CID 142072938
5-[4-(4-oxobutyl)phenyl]pentanal
CID 86059297
3-[5-(hydroxyamino)-2-(propylaminomethyl)phenyl]propanal
CID 135192154
3-[4-[difluoro(phosphanyl)methyl]phenyl]propanal
CID 139394891
hydrogen sulfite;3-phenylpropanal
CID 175194079

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxyamino)phenyl]propanal?
The IUPAC name of 3-[4-(hydroxyamino)phenyl]propanal (CID 156884909) is 3-[4-(hydroxyamino)phenyl]propanal.
What is the SMILES notation for 3-[4-(hydroxyamino)phenyl]propanal?
The canonical SMILES for 3-[4-(hydroxyamino)phenyl]propanal is O=CCCc1ccc(NO)cc1.
What is the InChIKey of 3-[4-(hydroxyamino)phenyl]propanal?
The InChIKey is KMQMKJOGAXUOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c11-7-1-2-8-3-5-9(10-12)6-4-8/h3-7,10,12H,1-2H2.
What are the key properties of 3-[4-(hydroxyamino)phenyl]propanal?
3-[4-(hydroxyamino)phenyl]propanal has a molecular weight of 165.19 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxyamino)phenyl]propanal is sourced from PubChem (CID 156884909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).