(NE)-N-(2,2-dimethoxycyclopentylidene)hydroxylamine

C7H13NO3 — CID 88735591

IUPAC(NE)-N-(2,2-dimethoxycyclopentylidene)hydroxylamine
SMILESCOC1(OC)CCC/C1=N\O
InChIInChI=1S/C7H13NO3/c1-10-7(11-2)5-3-4-6(7)8-9/h9H,3-5H2,1-2H3/b8-6+
InChIKeyZUENFZZNRCOSHJ-SOFGYWHQSA-N
MW159.19 g/mol
LogP0.99
Rot. Bonds2

About (NE)-N-(2,2-dimethoxycyclopentylidene)hydroxylamine

(NE)-N-(2,2-dimethoxycyclopentylidene)hydroxylamine (PubChem CID 88735591) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is (NE)-N-(2,2-dimethoxycyclopentylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2,2-dimethoxycyclopentylidene)hydroxylamine
PubChem CID88735591
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name(NE)-N-(2,2-dimethoxycyclopentylidene)hydroxylamine
SMILESCOC1(OC)CCC/C1=N\O
InChIInChI=1S/C7H13NO3/c1-10-7(11-2)5-3-4-6(7)8-9/h9H,3-5H2,1-2H3/b8-6+
InChIKeyZUENFZZNRCOSHJ-SOFGYWHQSA-N
XLogP0.99
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-(2,2-dimethoxycyclopentylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2,2-dimethoxycyclopentylidene)hydroxylamine (CID 88735591) is (NE)-N-(2,2-dimethoxycyclopentylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2,2-dimethoxycyclopentylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2,2-dimethoxycyclopentylidene)hydroxylamine is COC1(OC)CCC/C1=N\O.
What is the InChIKey of (NE)-N-(2,2-dimethoxycyclopentylidene)hydroxylamine?
The InChIKey is ZUENFZZNRCOSHJ-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H13NO3/c1-10-7(11-2)5-3-4-6(7)8-9/h9H,3-5H2,1-2H3/b8-6+.
What are the key properties of (NE)-N-(2,2-dimethoxycyclopentylidene)hydroxylamine?
(NE)-N-(2,2-dimethoxycyclopentylidene)hydroxylamine has a molecular weight of 159.19 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2,2-dimethoxycyclopentylidene)hydroxylamine is sourced from PubChem (CID 88735591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).