8-amino-6-chlorospiro[3H-chromene-2,1'-cycloheptane]-4-one

C15H18ClNO2 — CID 82046391

IUPAC8-amino-6-chlorospiro[3H-chromene-2,1'-cycloheptane]-4-one
SMILESNc1cc(Cl)cc2c1OC1(CCCCCC1)CC2=O
InChIInChI=1S/C15H18ClNO2/c16-10-7-11-13(18)9-15(5-3-1-2-4-6-15)19-14(11)12(17)8-10/h7-8H,1-6,9,17H2
InChIKeyOGMLOOFVUDGZSW-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.98
Rot. Bonds

About 8-amino-6-chlorospiro[3H-chromene-2,1'-cycloheptane]-4-one

8-amino-6-chlorospiro[3H-chromene-2,1'-cycloheptane]-4-one (PubChem CID 82046391) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 8-amino-6-chlorospiro[3H-chromene-2,1'-cycloheptane]-4-one.

Molecular Properties

Compound Name8-amino-6-chlorospiro[3H-chromene-2,1'-cycloheptane]-4-one
PubChem CID82046391
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name8-amino-6-chlorospiro[3H-chromene-2,1'-cycloheptane]-4-one
SMILESNc1cc(Cl)cc2c1OC1(CCCCCC1)CC2=O
InChIInChI=1S/C15H18ClNO2/c16-10-7-11-13(18)9-15(5-3-1-2-4-6-15)19-14(11)12(17)8-10/h7-8H,1-6,9,17H2
InChIKeyOGMLOOFVUDGZSW-UHFFFAOYSA-N
XLogP3.98
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-amino-6-chlorospiro[3H-chromene-2,1'-cycloheptane]-4-one?
The IUPAC name of 8-amino-6-chlorospiro[3H-chromene-2,1'-cycloheptane]-4-one (CID 82046391) is 8-amino-6-chlorospiro[3H-chromene-2,1'-cycloheptane]-4-one.
What is the SMILES notation for 8-amino-6-chlorospiro[3H-chromene-2,1'-cycloheptane]-4-one?
The canonical SMILES for 8-amino-6-chlorospiro[3H-chromene-2,1'-cycloheptane]-4-one is Nc1cc(Cl)cc2c1OC1(CCCCCC1)CC2=O.
What is the InChIKey of 8-amino-6-chlorospiro[3H-chromene-2,1'-cycloheptane]-4-one?
The InChIKey is OGMLOOFVUDGZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c16-10-7-11-13(18)9-15(5-3-1-2-4-6-15)19-14(11)12(17)8-10/h7-8H,1-6,9,17H2.
What are the key properties of 8-amino-6-chlorospiro[3H-chromene-2,1'-cycloheptane]-4-one?
8-amino-6-chlorospiro[3H-chromene-2,1'-cycloheptane]-4-one has a molecular weight of 279.77 g/mol, XLogP of 3.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-chlorospiro[3H-chromene-2,1'-cycloheptane]-4-one is sourced from PubChem (CID 82046391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).