(NE)-N-(6-chlorospiro[2H-indene-3,1'-cyclopentane]-1-ylidene)hydroxylamine

C13H14ClNO — CID 88795334

IUPAC(NE)-N-(6-chlorospiro[2H-indene-3,1'-cyclopentane]-1-ylidene)hydroxylamine
SMILESO/N=C1\CC2(CCCC2)c2ccc(Cl)cc21
InChIInChI=1S/C13H14ClNO/c14-9-3-4-11-10(7-9)12(15-16)8-13(11)5-1-2-6-13/h3-4,7,16H,1-2,5-6,8H2/b15-12+
InChIKeyIORLWZBWRQDRGD-NTCAYCPXSA-N
MW235.71 g/mol
LogP3.73
Rot. Bonds

About (NE)-N-(6-chlorospiro[2H-indene-3,1'-cyclopentane]-1-ylidene)hydroxylamine

(NE)-N-(6-chlorospiro[2H-indene-3,1'-cyclopentane]-1-ylidene)hydroxylamine (PubChem CID 88795334) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is (NE)-N-(6-chlorospiro[2H-indene-3,1'-cyclopentane]-1-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(6-chlorospiro[2H-indene-3,1'-cyclopentane]-1-ylidene)hydroxylamine
PubChem CID88795334
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name(NE)-N-(6-chlorospiro[2H-indene-3,1'-cyclopentane]-1-ylidene)hydroxylamine
SMILESO/N=C1\CC2(CCCC2)c2ccc(Cl)cc21
InChIInChI=1S/C13H14ClNO/c14-9-3-4-11-10(7-9)12(15-16)8-13(11)5-1-2-6-13/h3-4,7,16H,1-2,5-6,8H2/b15-12+
InChIKeyIORLWZBWRQDRGD-NTCAYCPXSA-N
XLogP3.73
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.73
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-(6-chlorospiro[2H-indene-3,1'-cyclopentane]-1-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(6-chlorospiro[2H-indene-3,1'-cyclopentane]-1-ylidene)hydroxylamine (CID 88795334) is (NE)-N-(6-chlorospiro[2H-indene-3,1'-cyclopentane]-1-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(6-chlorospiro[2H-indene-3,1'-cyclopentane]-1-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(6-chlorospiro[2H-indene-3,1'-cyclopentane]-1-ylidene)hydroxylamine is O/N=C1\CC2(CCCC2)c2ccc(Cl)cc21.
What is the InChIKey of (NE)-N-(6-chlorospiro[2H-indene-3,1'-cyclopentane]-1-ylidene)hydroxylamine?
The InChIKey is IORLWZBWRQDRGD-NTCAYCPXSA-N. The full InChI is InChI=1S/C13H14ClNO/c14-9-3-4-11-10(7-9)12(15-16)8-13(11)5-1-2-6-13/h3-4,7,16H,1-2,5-6,8H2/b15-12+.
What are the key properties of (NE)-N-(6-chlorospiro[2H-indene-3,1'-cyclopentane]-1-ylidene)hydroxylamine?
(NE)-N-(6-chlorospiro[2H-indene-3,1'-cyclopentane]-1-ylidene)hydroxylamine has a molecular weight of 235.71 g/mol, XLogP of 3.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(6-chlorospiro[2H-indene-3,1'-cyclopentane]-1-ylidene)hydroxylamine is sourced from PubChem (CID 88795334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).