(NE)-N-[5-(oxiran-2-yl)pentan-2-ylidene]hydroxylamine

C7H13NO2 — CID 14437884

IUPAC(NE)-N-[5-(oxiran-2-yl)pentan-2-ylidene]hydroxylamine
SMILESC/C(CCCC1CO1)=N\O
InChIInChI=1S/C7H13NO2/c1-6(8-9)3-2-4-7-5-10-7/h7,9H,2-5H2,1H3/b8-6+
InChIKeyXZTRCMCMKWZYSD-SOFGYWHQSA-N
MW143.19 g/mol
LogP1.41
Rot. Bonds4

About (NE)-N-[5-(oxiran-2-yl)pentan-2-ylidene]hydroxylamine

(NE)-N-[5-(oxiran-2-yl)pentan-2-ylidene]hydroxylamine (PubChem CID 14437884) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (NE)-N-[5-(oxiran-2-yl)pentan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[5-(oxiran-2-yl)pentan-2-ylidene]hydroxylamine
PubChem CID14437884
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(NE)-N-[5-(oxiran-2-yl)pentan-2-ylidene]hydroxylamine
SMILESC/C(CCCC1CO1)=N\O
InChIInChI=1S/C7H13NO2/c1-6(8-9)3-2-4-7-5-10-7/h7,9H,2-5H2,1H3/b8-6+
InChIKeyXZTRCMCMKWZYSD-SOFGYWHQSA-N
XLogP1.41
TPSA45.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[5-(oxiran-2-yl)pentan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[5-(oxiran-2-yl)pentan-2-ylidene]hydroxylamine (CID 14437884) is (NE)-N-[5-(oxiran-2-yl)pentan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[5-(oxiran-2-yl)pentan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[5-(oxiran-2-yl)pentan-2-ylidene]hydroxylamine is C/C(CCCC1CO1)=N\O.
What is the InChIKey of (NE)-N-[5-(oxiran-2-yl)pentan-2-ylidene]hydroxylamine?
The InChIKey is XZTRCMCMKWZYSD-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6(8-9)3-2-4-7-5-10-7/h7,9H,2-5H2,1H3/b8-6+.
What are the key properties of (NE)-N-[5-(oxiran-2-yl)pentan-2-ylidene]hydroxylamine?
(NE)-N-[5-(oxiran-2-yl)pentan-2-ylidene]hydroxylamine has a molecular weight of 143.19 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[5-(oxiran-2-yl)pentan-2-ylidene]hydroxylamine is sourced from PubChem (CID 14437884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).