(NE)-N-(2-prop-2-enyliminopentan-3-ylidene)hydroxylamine

C8H14N2O — CID 137315983

IUPAC(NE)-N-(2-prop-2-enyliminopentan-3-ylidene)hydroxylamine
SMILESC=CC/N=C(C)/C(CC)=N/O
InChIInChI=1S/C8H14N2O/c1-4-6-9-7(3)8(5-2)10-11/h4,11H,1,5-6H2,2-3H3/b9-7+,10-8+
InChIKeyWBASIYVMHKJDQY-FIFLTTCUSA-N
MW154.21 g/mol
LogP1.87
Rot. Bonds4

About (NE)-N-(2-prop-2-enyliminopentan-3-ylidene)hydroxylamine

(NE)-N-(2-prop-2-enyliminopentan-3-ylidene)hydroxylamine (PubChem CID 137315983) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (NE)-N-(2-prop-2-enyliminopentan-3-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2-prop-2-enyliminopentan-3-ylidene)hydroxylamine
PubChem CID137315983
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(NE)-N-(2-prop-2-enyliminopentan-3-ylidene)hydroxylamine
SMILESC=CC/N=C(C)/C(CC)=N/O
InChIInChI=1S/C8H14N2O/c1-4-6-9-7(3)8(5-2)10-11/h4,11H,1,5-6H2,2-3H3/b9-7+,10-8+
InChIKeyWBASIYVMHKJDQY-FIFLTTCUSA-N
XLogP1.87
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-prop-2-enyliminopentan-3-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2-prop-2-enyliminopentan-3-ylidene)hydroxylamine (CID 137315983) is (NE)-N-(2-prop-2-enyliminopentan-3-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2-prop-2-enyliminopentan-3-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2-prop-2-enyliminopentan-3-ylidene)hydroxylamine is C=CC/N=C(C)/C(CC)=N/O.
What is the InChIKey of (NE)-N-(2-prop-2-enyliminopentan-3-ylidene)hydroxylamine?
The InChIKey is WBASIYVMHKJDQY-FIFLTTCUSA-N. The full InChI is InChI=1S/C8H14N2O/c1-4-6-9-7(3)8(5-2)10-11/h4,11H,1,5-6H2,2-3H3/b9-7+,10-8+.
What are the key properties of (NE)-N-(2-prop-2-enyliminopentan-3-ylidene)hydroxylamine?
(NE)-N-(2-prop-2-enyliminopentan-3-ylidene)hydroxylamine has a molecular weight of 154.21 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2-prop-2-enyliminopentan-3-ylidene)hydroxylamine is sourced from PubChem (CID 137315983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).