N-(4-iminohex-5-en-2-yl)hydroxylamine

C6H12N2O — CID 175421103

IUPACN-(4-iminohex-5-en-2-yl)hydroxylamine
SMILES[H]/N=C(\C=C)CC(C)NO
InChIInChI=1S/C6H12N2O/c1-3-6(7)4-5(2)8-9/h3,5,7-9H,1,4H2,2H3/b7-6+
InChIKeyJKOSOAKCLUIVEO-VOTSOKGWSA-N
MW128.18 g/mol
LogP0.95
Rot. Bonds4

About N-(4-iminohex-5-en-2-yl)hydroxylamine

N-(4-iminohex-5-en-2-yl)hydroxylamine (PubChem CID 175421103) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is N-(4-iminohex-5-en-2-yl)hydroxylamine.

Molecular Properties

Compound NameN-(4-iminohex-5-en-2-yl)hydroxylamine
PubChem CID175421103
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC NameN-(4-iminohex-5-en-2-yl)hydroxylamine
SMILES[H]/N=C(\C=C)CC(C)NO
InChIInChI=1S/C6H12N2O/c1-3-6(7)4-5(2)8-9/h3,5,7-9H,1,4H2,2H3/b7-6+
InChIKeyJKOSOAKCLUIVEO-VOTSOKGWSA-N
XLogP0.95
TPSA56.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 N-(4-iminohex-5-en-2-yl)hydroxylamine?
The IUPAC name of N-(4-iminohex-5-en-2-yl)hydroxylamine (CID 175421103) is N-(4-iminohex-5-en-2-yl)hydroxylamine.
What is the SMILES notation for N-(4-iminohex-5-en-2-yl)hydroxylamine?
The canonical SMILES for N-(4-iminohex-5-en-2-yl)hydroxylamine is [H]/N=C(\C=C)CC(C)NO.
What is the InChIKey of N-(4-iminohex-5-en-2-yl)hydroxylamine?
The InChIKey is JKOSOAKCLUIVEO-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H12N2O/c1-3-6(7)4-5(2)8-9/h3,5,7-9H,1,4H2,2H3/b7-6+.
What are the key properties of N-(4-iminohex-5-en-2-yl)hydroxylamine?
N-(4-iminohex-5-en-2-yl)hydroxylamine has a molecular weight of 128.18 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iminohex-5-en-2-yl)hydroxylamine is sourced from PubChem (CID 175421103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).