ethyl N-hydroxypentanimidate

C7H15NO2 — CID 173290814

IUPACethyl N-hydroxypentanimidate
SMILESCCCCC(=NO)OCC
InChIInChI=1S/C7H15NO2/c1-3-5-6-7(8-9)10-4-2/h9H,3-6H2,1-2H3
InChIKeyNWIVLDYBRUTKKV-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.00
Rot. Bonds4

About ethyl N-hydroxypentanimidate

ethyl N-hydroxypentanimidate (PubChem CID 173290814) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is ethyl N-hydroxypentanimidate.

Molecular Properties

Compound Nameethyl N-hydroxypentanimidate
PubChem CID173290814
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Nameethyl N-hydroxypentanimidate
SMILESCCCCC(=NO)OCC
InChIInChI=1S/C7H15NO2/c1-3-5-6-7(8-9)10-4-2/h9H,3-6H2,1-2H3
InChIKeyNWIVLDYBRUTKKV-UHFFFAOYSA-N
XLogP2.00
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

diethyl N,N'-dihydroxypropanediimidate
CID 174681376
ethyl N-[amino(methylsulfanyl)methylidene]pentanehydrazonate
CID 85132381
ethyl (1Z)-N-hydroxy-2-iodoethanimidate
CID 126725642
ethyl 3-ethoxy-3-hydroxyiminopropanoate
CID 88785854
ethyl N-ethoxycarbonylbutanimidate
CID 86637971
methyl N-methylpentanimidate
CID 89172529
N-(1-amino-10-hydroxyiminotetradecan-2-ylidene)hydroxylamine
CID 142657527
diethyl (Z)-2,3-dibutylbut-2-enedioate;stannane
CID 173106859
decan-5-ylidenehydrazine
CID 86114328
N-nonan-4-ylidenehydroxylamine;hydrochloride
CID 86742675
ethyl (1E)-N-hydroxyethanimidate
CID 5363167
ethyl butanoate;ethyl decanoate;ethyl dodecanoate;ethyl heptanoate;ethyl hexadecanoate;ethyl hexanoate;ethyl nonanoate;ethyl octanoate;ethyl pentadecanoate;ethyl propanoate;ethyl tetradecanoate;ethyl tridecanoate;ethyl undecanoate
CID 162105702

Frequently Asked Questions

What is the IUPAC name of ethyl N-hydroxypentanimidate?
The IUPAC name of ethyl N-hydroxypentanimidate (CID 173290814) is ethyl N-hydroxypentanimidate.
What is the SMILES notation for ethyl N-hydroxypentanimidate?
The canonical SMILES for ethyl N-hydroxypentanimidate is CCCCC(=NO)OCC.
What is the InChIKey of ethyl N-hydroxypentanimidate?
The InChIKey is NWIVLDYBRUTKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-5-6-7(8-9)10-4-2/h9H,3-6H2,1-2H3.
What are the key properties of ethyl N-hydroxypentanimidate?
ethyl N-hydroxypentanimidate has a molecular weight of 145.20 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-hydroxypentanimidate is sourced from PubChem (CID 173290814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).