3,3-dimethyl-6'-nitrospiro[1H-indole-2,2'-chromene]

C18H16N2O3 — CID 19068568

IUPAC3,3-dimethyl-6'-nitrospiro[1H-indole-2,2'-chromene]
SMILESCC1(C)c2ccccc2NC12C=Cc1cc([N+](=O)[O-])ccc1O2
InChIInChI=1S/C18H16N2O3/c1-17(2)14-5-3-4-6-15(14)19-18(17)10-9-12-11-13(20(21)22)7-8-16(12)23-18/h3-11,19H,1-2H3
InChIKeyRSZVWFWUYVHSLG-UHFFFAOYSA-N
MW308.34 g/mol
LogP4.10
Rot. Bonds1

About 3,3-dimethyl-6'-nitrospiro[1H-indole-2,2'-chromene]

3,3-dimethyl-6'-nitrospiro[1H-indole-2,2'-chromene] (PubChem CID 19068568) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3,3-dimethyl-6'-nitrospiro[1H-indole-2,2'-chromene].

Molecular Properties

Compound Name3,3-dimethyl-6'-nitrospiro[1H-indole-2,2'-chromene]
PubChem CID19068568
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name3,3-dimethyl-6'-nitrospiro[1H-indole-2,2'-chromene]
SMILESCC1(C)c2ccccc2NC12C=Cc1cc([N+](=O)[O-])ccc1O2
InChIInChI=1S/C18H16N2O3/c1-17(2)14-5-3-4-6-15(14)19-18(17)10-9-12-11-13(20(21)22)7-8-16(12)23-18/h3-11,19H,1-2H3
InChIKeyRSZVWFWUYVHSLG-UHFFFAOYSA-N
XLogP4.10
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3,3-dimethyl-6'-nitrospiro[1H-indole-2,2'-chromene]?
The IUPAC name of 3,3-dimethyl-6'-nitrospiro[1H-indole-2,2'-chromene] (CID 19068568) is 3,3-dimethyl-6'-nitrospiro[1H-indole-2,2'-chromene].
What is the SMILES notation for 3,3-dimethyl-6'-nitrospiro[1H-indole-2,2'-chromene]?
The canonical SMILES for 3,3-dimethyl-6'-nitrospiro[1H-indole-2,2'-chromene] is CC1(C)c2ccccc2NC12C=Cc1cc([N+](=O)[O-])ccc1O2.
What is the InChIKey of 3,3-dimethyl-6'-nitrospiro[1H-indole-2,2'-chromene]?
The InChIKey is RSZVWFWUYVHSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-17(2)14-5-3-4-6-15(14)19-18(17)10-9-12-11-13(20(21)22)7-8-16(12)23-18/h3-11,19H,1-2H3.
What are the key properties of 3,3-dimethyl-6'-nitrospiro[1H-indole-2,2'-chromene]?
3,3-dimethyl-6'-nitrospiro[1H-indole-2,2'-chromene] has a molecular weight of 308.34 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6'-nitrospiro[1H-indole-2,2'-chromene] is sourced from PubChem (CID 19068568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).