(NE)-N-(2-chloro-3,3-dimethylcyclobutylidene)hydroxylamine

C6H10ClNO — CID 88715214

IUPAC(NE)-N-(2-chloro-3,3-dimethylcyclobutylidene)hydroxylamine
SMILESCC1(C)C/C(=N\O)C1Cl
InChIInChI=1S/C6H10ClNO/c1-6(2)3-4(8-9)5(6)7/h5,9H,3H2,1-2H3/b8-4+
InChIKeyCHCWVNBIEIVSAC-XBXARRHUSA-N
MW147.60 g/mol
LogP1.85
Rot. Bonds

About (NE)-N-(2-chloro-3,3-dimethylcyclobutylidene)hydroxylamine

(NE)-N-(2-chloro-3,3-dimethylcyclobutylidene)hydroxylamine (PubChem CID 88715214) has the molecular formula C6H10ClNO and a molecular weight of 147.60 g/mol. Its IUPAC name is (NE)-N-(2-chloro-3,3-dimethylcyclobutylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2-chloro-3,3-dimethylcyclobutylidene)hydroxylamine
PubChem CID88715214
Molecular FormulaC6H10ClNO
Molecular Weight147.60 g/mol
Exact Mass147.05
IUPAC Name(NE)-N-(2-chloro-3,3-dimethylcyclobutylidene)hydroxylamine
SMILESCC1(C)C/C(=N\O)C1Cl
InChIInChI=1S/C6H10ClNO/c1-6(2)3-4(8-9)5(6)7/h5,9H,3H2,1-2H3/b8-4+
InChIKeyCHCWVNBIEIVSAC-XBXARRHUSA-N
XLogP1.85
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.60
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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-chloro-3,3-dimethylcyclobutylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2-chloro-3,3-dimethylcyclobutylidene)hydroxylamine (CID 88715214) is (NE)-N-(2-chloro-3,3-dimethylcyclobutylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2-chloro-3,3-dimethylcyclobutylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2-chloro-3,3-dimethylcyclobutylidene)hydroxylamine is CC1(C)C/C(=N\O)C1Cl.
What is the InChIKey of (NE)-N-(2-chloro-3,3-dimethylcyclobutylidene)hydroxylamine?
The InChIKey is CHCWVNBIEIVSAC-XBXARRHUSA-N. The full InChI is InChI=1S/C6H10ClNO/c1-6(2)3-4(8-9)5(6)7/h5,9H,3H2,1-2H3/b8-4+.
What are the key properties of (NE)-N-(2-chloro-3,3-dimethylcyclobutylidene)hydroxylamine?
(NE)-N-(2-chloro-3,3-dimethylcyclobutylidene)hydroxylamine has a molecular weight of 147.60 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2-chloro-3,3-dimethylcyclobutylidene)hydroxylamine is sourced from PubChem (CID 88715214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).