(NZ)-N-(4-methylpent-3-en-2-ylidene)hydroxylamine

C6H11NO — CID 5369105

IUPAC(NZ)-N-(4-methylpent-3-en-2-ylidene)hydroxylamine
SMILESCC(C)=C/C(C)=N\O
InChIInChI=1S/C6H11NO/c1-5(2)4-6(3)7-8/h4,8H,1-3H3/b7-6-
InChIKeyCTLWEGCNQGNBFF-SREVYHEPSA-N
MW113.16 g/mol
LogP1.80
Rot. Bonds1

About (NZ)-N-(4-methylpent-3-en-2-ylidene)hydroxylamine

(NZ)-N-(4-methylpent-3-en-2-ylidene)hydroxylamine (PubChem CID 5369105) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (NZ)-N-(4-methylpent-3-en-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(4-methylpent-3-en-2-ylidene)hydroxylamine
PubChem CID5369105
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(NZ)-N-(4-methylpent-3-en-2-ylidene)hydroxylamine
SMILESCC(C)=C/C(C)=N\O
InChIInChI=1S/C6H11NO/c1-5(2)4-6(3)7-8/h4,8H,1-3H3/b7-6-
InChIKeyCTLWEGCNQGNBFF-SREVYHEPSA-N
XLogP1.80
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(4-methylpent-3-en-2-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(4-methylpent-3-en-2-ylidene)hydroxylamine (CID 5369105) is (NZ)-N-(4-methylpent-3-en-2-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(4-methylpent-3-en-2-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(4-methylpent-3-en-2-ylidene)hydroxylamine is CC(C)=C/C(C)=N\O.
What is the InChIKey of (NZ)-N-(4-methylpent-3-en-2-ylidene)hydroxylamine?
The InChIKey is CTLWEGCNQGNBFF-SREVYHEPSA-N. The full InChI is InChI=1S/C6H11NO/c1-5(2)4-6(3)7-8/h4,8H,1-3H3/b7-6-.
What are the key properties of (NZ)-N-(4-methylpent-3-en-2-ylidene)hydroxylamine?
(NZ)-N-(4-methylpent-3-en-2-ylidene)hydroxylamine has a molecular weight of 113.16 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(4-methylpent-3-en-2-ylidene)hydroxylamine is sourced from PubChem (CID 5369105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).