6-methyl-1-[(5-nitrofuran-2-yl)methyl]indole

C14H12N2O3 — CID 116546889

IUPAC6-methyl-1-[(5-nitrofuran-2-yl)methyl]indole
SMILESCc1ccc2ccn(Cc3ccc([N+](=O)[O-])o3)c2c1
InChIInChI=1S/C14H12N2O3/c1-10-2-3-11-6-7-15(13(11)8-10)9-12-4-5-14(19-12)16(17)18/h2-8H,9H2,1H3
InChIKeyRRFZHOYCBHMIRB-UHFFFAOYSA-N
MW256.26 g/mol
LogP3.50
Rot. Bonds3

About 6-methyl-1-[(5-nitrofuran-2-yl)methyl]indole

6-methyl-1-[(5-nitrofuran-2-yl)methyl]indole (PubChem CID 116546889) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 6-methyl-1-[(5-nitrofuran-2-yl)methyl]indole.

Molecular Properties

Compound Name6-methyl-1-[(5-nitrofuran-2-yl)methyl]indole
PubChem CID116546889
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name6-methyl-1-[(5-nitrofuran-2-yl)methyl]indole
SMILESCc1ccc2ccn(Cc3ccc([N+](=O)[O-])o3)c2c1
InChIInChI=1S/C14H12N2O3/c1-10-2-3-11-6-7-15(13(11)8-10)9-12-4-5-14(19-12)16(17)18/h2-8H,9H2,1H3
InChIKeyRRFZHOYCBHMIRB-UHFFFAOYSA-N
XLogP3.50
TPSA61.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 53.50
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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Related Compounds

6-fluoro-1-[(5-nitrofuran-2-yl)methyl]indole
CID 116619759
4-methyl-1-[(5-nitrofuran-2-yl)methyl]pyridin-2-one
CID 116622628
1-[(5-fluoro-2-nitrophenyl)methyl]-6-methylindole
CID 116546647
1-ethyl-3-[(5-nitrofuran-2-yl)methyl]imidazol-2-one
CID 116624377
1-[(3-methylphenyl)methyl]-6-nitroindole
CID 116620954
5,6-dimethyl-1-[(5-nitrofuran-2-yl)methyl]benzimidazole
CID 115582512
2-ethyl-5-[(6-methylindol-1-yl)methyl]-1,3,4-oxadiazole
CID 116546884
5-[(6-nitroindol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 116621104
5-[(5-nitroindol-1-yl)methyl]furan-2-carboxylic acid
CID 43329880
6-chloro-1-[(4-nitrophenyl)methyl]indole
CID 116620550
2-[4-[(6-methylindol-1-yl)methyl]phenyl]acetic acid
CID 105345354
2-methoxy-6-methyl-3-[(5-nitrofuran-2-yl)methyl]pyrimidin-4-one
CID 79376118

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[(5-nitrofuran-2-yl)methyl]indole?
The IUPAC name of 6-methyl-1-[(5-nitrofuran-2-yl)methyl]indole (CID 116546889) is 6-methyl-1-[(5-nitrofuran-2-yl)methyl]indole.
What is the SMILES notation for 6-methyl-1-[(5-nitrofuran-2-yl)methyl]indole?
The canonical SMILES for 6-methyl-1-[(5-nitrofuran-2-yl)methyl]indole is Cc1ccc2ccn(Cc3ccc([N+](=O)[O-])o3)c2c1.
What is the InChIKey of 6-methyl-1-[(5-nitrofuran-2-yl)methyl]indole?
The InChIKey is RRFZHOYCBHMIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-10-2-3-11-6-7-15(13(11)8-10)9-12-4-5-14(19-12)16(17)18/h2-8H,9H2,1H3.
What are the key properties of 6-methyl-1-[(5-nitrofuran-2-yl)methyl]indole?
6-methyl-1-[(5-nitrofuran-2-yl)methyl]indole has a molecular weight of 256.26 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[(5-nitrofuran-2-yl)methyl]indole is sourced from PubChem (CID 116546889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).