9-fluoro-5a,6,10b-trimethyl-2-nitro-11H-chromeno[2,3-b]indole

C18H17FN2O3 — CID 139243711

IUPAC9-fluoro-5a,6,10b-trimethyl-2-nitro-11H-chromeno[2,3-b]indole
SMILESCN1c2ccc(F)cc2C2(C)Cc3cc([N+](=O)[O-])ccc3OC12C
InChIInChI=1S/C18H17FN2O3/c1-17-10-11-8-13(21(22)23)5-7-16(11)24-18(17,2)20(3)15-6-4-12(19)9-14(15)17/h4-9H,10H2,1-3H3
InChIKeyMAIUYIDJZKXSPC-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.79
Rot. Bonds1

About 9-fluoro-5a,6,10b-trimethyl-2-nitro-11H-chromeno[2,3-b]indole

9-fluoro-5a,6,10b-trimethyl-2-nitro-11H-chromeno[2,3-b]indole (PubChem CID 139243711) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 9-fluoro-5a,6,10b-trimethyl-2-nitro-11H-chromeno[2,3-b]indole.

Molecular Properties

Compound Name9-fluoro-5a,6,10b-trimethyl-2-nitro-11H-chromeno[2,3-b]indole
PubChem CID139243711
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name9-fluoro-5a,6,10b-trimethyl-2-nitro-11H-chromeno[2,3-b]indole
SMILESCN1c2ccc(F)cc2C2(C)Cc3cc([N+](=O)[O-])ccc3OC12C
InChIInChI=1S/C18H17FN2O3/c1-17-10-11-8-13(21(22)23)5-7-16(11)24-18(17,2)20(3)15-6-4-12(19)9-14(15)17/h4-9H,10H2,1-3H3
InChIKeyMAIUYIDJZKXSPC-UHFFFAOYSA-N
XLogP3.79
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
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 9-fluoro-5a,6,10b-trimethyl-2-nitro-11H-chromeno[2,3-b]indole?
The IUPAC name of 9-fluoro-5a,6,10b-trimethyl-2-nitro-11H-chromeno[2,3-b]indole (CID 139243711) is 9-fluoro-5a,6,10b-trimethyl-2-nitro-11H-chromeno[2,3-b]indole.
What is the SMILES notation for 9-fluoro-5a,6,10b-trimethyl-2-nitro-11H-chromeno[2,3-b]indole?
The canonical SMILES for 9-fluoro-5a,6,10b-trimethyl-2-nitro-11H-chromeno[2,3-b]indole is CN1c2ccc(F)cc2C2(C)Cc3cc([N+](=O)[O-])ccc3OC12C.
What is the InChIKey of 9-fluoro-5a,6,10b-trimethyl-2-nitro-11H-chromeno[2,3-b]indole?
The InChIKey is MAIUYIDJZKXSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-17-10-11-8-13(21(22)23)5-7-16(11)24-18(17,2)20(3)15-6-4-12(19)9-14(15)17/h4-9H,10H2,1-3H3.
What are the key properties of 9-fluoro-5a,6,10b-trimethyl-2-nitro-11H-chromeno[2,3-b]indole?
9-fluoro-5a,6,10b-trimethyl-2-nitro-11H-chromeno[2,3-b]indole has a molecular weight of 328.34 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-5a,6,10b-trimethyl-2-nitro-11H-chromeno[2,3-b]indole is sourced from PubChem (CID 139243711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).