(NE)-N-[2-(prop-2-enylamino)butylidene]hydroxylamine

C7H14N2O — CID 15644936

IUPAC(NE)-N-[2-(prop-2-enylamino)butylidene]hydroxylamine
SMILESC=CCNC(/C=N/O)CC
InChIInChI=1S/C7H14N2O/c1-3-5-8-7(4-2)6-9-10/h3,6-8,10H,1,4-5H2,2H3/b9-6+
InChIKeyRVWHNWAHCGYUOQ-RMKNXTFCSA-N
MW142.20 g/mol
LogP1.00
Rot. Bonds5

About (NE)-N-[2-(prop-2-enylamino)butylidene]hydroxylamine

(NE)-N-[2-(prop-2-enylamino)butylidene]hydroxylamine (PubChem CID 15644936) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is (NE)-N-[2-(prop-2-enylamino)butylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-(prop-2-enylamino)butylidene]hydroxylamine
PubChem CID15644936
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name(NE)-N-[2-(prop-2-enylamino)butylidene]hydroxylamine
SMILESC=CCNC(/C=N/O)CC
InChIInChI=1S/C7H14N2O/c1-3-5-8-7(4-2)6-9-10/h3,6-8,10H,1,4-5H2,2H3/b9-6+
InChIKeyRVWHNWAHCGYUOQ-RMKNXTFCSA-N
XLogP1.00
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-enylamino)butylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-(prop-2-enylamino)butylidene]hydroxylamine (CID 15644936) is (NE)-N-[2-(prop-2-enylamino)butylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-(prop-2-enylamino)butylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-(prop-2-enylamino)butylidene]hydroxylamine is C=CCNC(/C=N/O)CC.
What is the InChIKey of (NE)-N-[2-(prop-2-enylamino)butylidene]hydroxylamine?
The InChIKey is RVWHNWAHCGYUOQ-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H14N2O/c1-3-5-8-7(4-2)6-9-10/h3,6-8,10H,1,4-5H2,2H3/b9-6+.
What are the key properties of (NE)-N-[2-(prop-2-enylamino)butylidene]hydroxylamine?
(NE)-N-[2-(prop-2-enylamino)butylidene]hydroxylamine has a molecular weight of 142.20 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-(prop-2-enylamino)butylidene]hydroxylamine is sourced from PubChem (CID 15644936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).