(NE)-N-(2-methylpropylidene)hydroxylamine

C4H9NO — CID 5324282

IUPAC(NE)-N-(2-methylpropylidene)hydroxylamine
SMILESCC(C)/C=N/O
InChIInChI=1S/C4H9NO/c1-4(2)3-5-6/h3-4,6H,1-2H3/b5-3+
InChIKeySYJPAKDNFZLSMV-HWKANZROSA-N
MW87.12 g/mol
LogP1.10
Rot. Bonds1

About (NE)-N-(2-methylpropylidene)hydroxylamine

(NE)-N-(2-methylpropylidene)hydroxylamine (PubChem CID 5324282) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is (NE)-N-(2-methylpropylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2-methylpropylidene)hydroxylamine
PubChem CID5324282
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Name(NE)-N-(2-methylpropylidene)hydroxylamine
SMILESCC(C)/C=N/O
InChIInChI=1S/C4H9NO/c1-4(2)3-5-6/h3-4,6H,1-2H3/b5-3+
InChIKeySYJPAKDNFZLSMV-HWKANZROSA-N
XLogP1.10
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 51.10
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 (NE)-N-(2-methylpropylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2-methylpropylidene)hydroxylamine (CID 5324282) is (NE)-N-(2-methylpropylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2-methylpropylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2-methylpropylidene)hydroxylamine is CC(C)/C=N/O.
What is the InChIKey of (NE)-N-(2-methylpropylidene)hydroxylamine?
The InChIKey is SYJPAKDNFZLSMV-HWKANZROSA-N. The full InChI is InChI=1S/C4H9NO/c1-4(2)3-5-6/h3-4,6H,1-2H3/b5-3+.
What are the key properties of (NE)-N-(2-methylpropylidene)hydroxylamine?
(NE)-N-(2-methylpropylidene)hydroxylamine has a molecular weight of 87.12 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2-methylpropylidene)hydroxylamine is sourced from PubChem (CID 5324282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).