2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)acetamide

C20H19N3O4 — CID 3786416

IUPAC2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)acetamide
SMILESCC1(C)c2ccccc2N(CC(N)=O)C12C=Cc1cc([N+](=O)[O-])ccc1O2
InChIInChI=1S/C20H19N3O4/c1-19(2)15-5-3-4-6-16(15)22(12-18(21)24)20(19)10-9-13-11-14(23(25)26)7-8-17(13)27-20/h3-11H,12H2,1-2H3,(H2,21,24)
InChIKeyXABQINSAZCFVGT-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.98
Rot. Bonds3

About 2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)acetamide

2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)acetamide (PubChem CID 3786416) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)acetamide.

Molecular Properties

Compound Name2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)acetamide
PubChem CID3786416
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)acetamide
SMILESCC1(C)c2ccccc2N(CC(N)=O)C12C=Cc1cc([N+](=O)[O-])ccc1O2
InChIInChI=1S/C20H19N3O4/c1-19(2)15-5-3-4-6-16(15)22(12-18(21)24)20(19)10-9-13-11-14(23(25)26)7-8-17(13)27-20/h3-11H,12H2,1-2H3,(H2,21,24)
InChIKeyXABQINSAZCFVGT-UHFFFAOYSA-N
XLogP2.98
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)acetamide?
The IUPAC name of 2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)acetamide (CID 3786416) is 2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)acetamide.
What is the SMILES notation for 2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)acetamide?
The canonical SMILES for 2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)acetamide is CC1(C)c2ccccc2N(CC(N)=O)C12C=Cc1cc([N+](=O)[O-])ccc1O2.
What is the InChIKey of 2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)acetamide?
The InChIKey is XABQINSAZCFVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-19(2)15-5-3-4-6-16(15)22(12-18(21)24)20(19)10-9-13-11-14(23(25)26)7-8-17(13)27-20/h3-11H,12H2,1-2H3,(H2,21,24).
What are the key properties of 2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)acetamide?
2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)acetamide has a molecular weight of 365.39 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)acetamide is sourced from PubChem (CID 3786416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).