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

C16H21NO2 — CID 82046296

IUPAC8-amino-6-methylspiro[3H-chromene-2,1'-cycloheptane]-4-one
SMILESCc1cc(N)c2c(c1)C(=O)CC1(CCCCCC1)O2
InChIInChI=1S/C16H21NO2/c1-11-8-12-14(18)10-16(6-4-2-3-5-7-16)19-15(12)13(17)9-11/h8-9H,2-7,10,17H2,1H3
InChIKeyZMEJOOUXJIZDMJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.64
Rot. Bonds

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

8-amino-6-methylspiro[3H-chromene-2,1'-cycloheptane]-4-one (PubChem CID 82046296) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 8-amino-6-methylspiro[3H-chromene-2,1'-cycloheptane]-4-one.

Molecular Properties

Compound Name8-amino-6-methylspiro[3H-chromene-2,1'-cycloheptane]-4-one
PubChem CID82046296
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name8-amino-6-methylspiro[3H-chromene-2,1'-cycloheptane]-4-one
SMILESCc1cc(N)c2c(c1)C(=O)CC1(CCCCCC1)O2
InChIInChI=1S/C16H21NO2/c1-11-8-12-14(18)10-16(6-4-2-3-5-7-16)19-15(12)13(17)9-11/h8-9H,2-7,10,17H2,1H3
InChIKeyZMEJOOUXJIZDMJ-UHFFFAOYSA-N
XLogP3.64
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.64
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-methylspiro[3H-chromene-2,1'-cycloheptane]-4-one?
The IUPAC name of 8-amino-6-methylspiro[3H-chromene-2,1'-cycloheptane]-4-one (CID 82046296) is 8-amino-6-methylspiro[3H-chromene-2,1'-cycloheptane]-4-one.
What is the SMILES notation for 8-amino-6-methylspiro[3H-chromene-2,1'-cycloheptane]-4-one?
The canonical SMILES for 8-amino-6-methylspiro[3H-chromene-2,1'-cycloheptane]-4-one is Cc1cc(N)c2c(c1)C(=O)CC1(CCCCCC1)O2.
What is the InChIKey of 8-amino-6-methylspiro[3H-chromene-2,1'-cycloheptane]-4-one?
The InChIKey is ZMEJOOUXJIZDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-11-8-12-14(18)10-16(6-4-2-3-5-7-16)19-15(12)13(17)9-11/h8-9H,2-7,10,17H2,1H3.
What are the key properties of 8-amino-6-methylspiro[3H-chromene-2,1'-cycloheptane]-4-one?
8-amino-6-methylspiro[3H-chromene-2,1'-cycloheptane]-4-one has a molecular weight of 259.35 g/mol, XLogP of 3.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-methylspiro[3H-chromene-2,1'-cycloheptane]-4-one is sourced from PubChem (CID 82046296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).