(NE)-N-(1'-benzyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-ylidene)hydroxylamine

C20H21ClN2O2 — CID 88869998

IUPAC(NE)-N-(1'-benzyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-ylidene)hydroxylamine
SMILESO/N=C1\CC2(CCN(Cc3ccccc3)CC2)Oc2c(Cl)cccc21
InChIInChI=1S/C20H21ClN2O2/c21-17-8-4-7-16-18(22-24)13-20(25-19(16)17)9-11-23(12-10-20)14-15-5-2-1-3-6-15/h1-8,24H,9-14H2/b22-18+
InChIKeyJFHCJIXRSGCGLR-RELWKKBWSA-N
MW356.85 g/mol
LogP4.34
Rot. Bonds2

About (NE)-N-(1'-benzyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-ylidene)hydroxylamine

(NE)-N-(1'-benzyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-ylidene)hydroxylamine (PubChem CID 88869998) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is (NE)-N-(1'-benzyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1'-benzyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-ylidene)hydroxylamine
PubChem CID88869998
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name(NE)-N-(1'-benzyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-ylidene)hydroxylamine
SMILESO/N=C1\CC2(CCN(Cc3ccccc3)CC2)Oc2c(Cl)cccc21
InChIInChI=1S/C20H21ClN2O2/c21-17-8-4-7-16-18(22-24)13-20(25-19(16)17)9-11-23(12-10-20)14-15-5-2-1-3-6-15/h1-8,24H,9-14H2/b22-18+
InChIKeyJFHCJIXRSGCGLR-RELWKKBWSA-N
XLogP4.34
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

(NE)-N-(1'-benzylspiro[2H-indene-3,4'-piperidine]-1-ylidene)hydroxylamine
CID 123311367
1'-benzyl-8-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 100761289
(NZ)-N-(1'-benzylspiro[3H-indene-2,4'-piperidine]-1-ylidene)hydroxylamine
CID 135369336
1'-benzoyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 100761498
(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methanol
CID 22744409
N-[4-hydroxyimino-1'-(2-phenylethyl)spiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide
CID 86746769
1'-benzylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 130157727
(E)-3-(1'-benzyl-8-fluoro-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide
CID 87258262
(10bS)-1'-benzyl-2-(2-chlorophenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
CID 41033481
1'-benzylspiro[3H-indene-2,4'-piperidine]-1-one
CID 10613541
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(1'-benzyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1'-benzyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-ylidene)hydroxylamine (CID 88869998) is (NE)-N-(1'-benzyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1'-benzyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1'-benzyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-ylidene)hydroxylamine is O/N=C1\CC2(CCN(Cc3ccccc3)CC2)Oc2c(Cl)cccc21.
What is the InChIKey of (NE)-N-(1'-benzyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-ylidene)hydroxylamine?
The InChIKey is JFHCJIXRSGCGLR-RELWKKBWSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c21-17-8-4-7-16-18(22-24)13-20(25-19(16)17)9-11-23(12-10-20)14-15-5-2-1-3-6-15/h1-8,24H,9-14H2/b22-18+.
What are the key properties of (NE)-N-(1'-benzyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-ylidene)hydroxylamine?
(NE)-N-(1'-benzyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-ylidene)hydroxylamine has a molecular weight of 356.85 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1'-benzyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-ylidene)hydroxylamine is sourced from PubChem (CID 88869998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).