(2S)-2-(hydroxyamino)heptanal

C7H15NO2 — CID 143783582

IUPAC(2S)-2-(hydroxyamino)heptanal
SMILESCCCCC[C@@H](C=O)NO
InChIInChI=1S/C7H15NO2/c1-2-3-4-5-7(6-9)8-10/h6-8,10H,2-5H2,1H3/t7-/m0/s1
InChIKeyOTHACGOOFWDYRI-ZETCQYMHSA-N
MW145.20 g/mol
LogP1.11
Rot. Bonds6

About (2S)-2-(hydroxyamino)heptanal

(2S)-2-(hydroxyamino)heptanal (PubChem CID 143783582) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (2S)-2-(hydroxyamino)heptanal.

Molecular Properties

Compound Name(2S)-2-(hydroxyamino)heptanal
PubChem CID143783582
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(2S)-2-(hydroxyamino)heptanal
SMILESCCCCC[C@@H](C=O)NO
InChIInChI=1S/C7H15NO2/c1-2-3-4-5-7(6-9)8-10/h6-8,10H,2-5H2,1H3/t7-/m0/s1
InChIKeyOTHACGOOFWDYRI-ZETCQYMHSA-N
XLogP1.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-oxohexan-2-yl)decanamide
CID 57129531
N-(4-methyl-1-oxodecan-2-yl)formamide
CID 166695285
N-(1-hydroxyhexyl)formamide
CID 54387531
2-(2-hydroxyethylamino)hexanal
CID 174299334
methyl hydrogen sulfate;(Z)-2-[[(Z)-1-oxoicos-11-en-2-yl]amino]icos-11-enal
CID 173323272
2-undecylpropanedial
CID 20505732
2-(2-oxopropyl)heptanal
CID 10442122
2-hydroxyhexanal;2-hydroxyoctanal
CID 146305584
2-(dihydroxymethyl)heptanal
CID 174908382
N-(3-hydroxy-1-oxooctan-2-yl)acetamide
CID 21416538
N-(1-hydroxyoctadecan-2-yl)formamide
CID 15354101
2-methyldodecanal
CID 87784106

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(hydroxyamino)heptanal?
The IUPAC name of (2S)-2-(hydroxyamino)heptanal (CID 143783582) is (2S)-2-(hydroxyamino)heptanal.
What is the SMILES notation for (2S)-2-(hydroxyamino)heptanal?
The canonical SMILES for (2S)-2-(hydroxyamino)heptanal is CCCCC[C@@H](C=O)NO.
What is the InChIKey of (2S)-2-(hydroxyamino)heptanal?
The InChIKey is OTHACGOOFWDYRI-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15NO2/c1-2-3-4-5-7(6-9)8-10/h6-8,10H,2-5H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-2-(hydroxyamino)heptanal?
(2S)-2-(hydroxyamino)heptanal has a molecular weight of 145.20 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(hydroxyamino)heptanal is sourced from PubChem (CID 143783582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).