1-(3-chloropropyl)-2-(cyclopropylmethyl)-6-nitroindole

C15H17ClN2O2 — CID 143475903

IUPAC1-(3-chloropropyl)-2-(cyclopropylmethyl)-6-nitroindole
SMILESO=[N+]([O-])c1ccc2cc(CC3CC3)n(CCCCl)c2c1
InChIInChI=1S/C15H17ClN2O2/c16-6-1-7-17-14(8-11-2-3-11)9-12-4-5-13(18(19)20)10-15(12)17/h4-5,9-11H,1-3,6-8H2
InChIKeyZQEGORIGQIYGFG-UHFFFAOYSA-N
MW292.77 g/mol
LogP4.13
Rot. Bonds6

About 1-(3-chloropropyl)-2-(cyclopropylmethyl)-6-nitroindole

1-(3-chloropropyl)-2-(cyclopropylmethyl)-6-nitroindole (PubChem CID 143475903) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 1-(3-chloropropyl)-2-(cyclopropylmethyl)-6-nitroindole.

Molecular Properties

Compound Name1-(3-chloropropyl)-2-(cyclopropylmethyl)-6-nitroindole
PubChem CID143475903
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name1-(3-chloropropyl)-2-(cyclopropylmethyl)-6-nitroindole
SMILESO=[N+]([O-])c1ccc2cc(CC3CC3)n(CCCCl)c2c1
InChIInChI=1S/C15H17ClN2O2/c16-6-1-7-17-14(8-11-2-3-11)9-12-4-5-13(18(19)20)10-15(12)17/h4-5,9-11H,1-3,6-8H2
InChIKeyZQEGORIGQIYGFG-UHFFFAOYSA-N
XLogP4.13
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloropentyl)-6-nitroindazole
CID 43348333
1-(4-chlorobutyl)-4-methyl-6-nitroquinoxaline-2,3-dione
CID 122177686
2-(3-chloropropyl)-3,3-dimethyl-6-nitro-1,2-benzothiazole
CID 54508262
3,6-dinitro-9-(3-pyrrolidin-1-ylpropyl)carbazole
CID 45381225
1-(cyclopropylmethyl)-3-hydroxy-6-nitroquinolin-2-one
CID 142375006
1-butyl-6-nitroindazole
CID 155169975
2-(cyclopropylmethyl)-6-nitroindazole
CID 59225440
5-nitro-3-[3-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)propyl]-1,3-benzoxazol-2-one
CID 86964767
6-nitro-1-(1-propylpiperidin-4-yl)indazole
CID 68607900
1-hydroxy-6-nitroindol-2-ol
CID 91576861
1-methyl-6-nitroindole-2-carbaldehyde
CID 105455916
5-(cyclopropylmethyl)-1-methyl-2-nitroimidazole
CID 147867083

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropyl)-2-(cyclopropylmethyl)-6-nitroindole?
The IUPAC name of 1-(3-chloropropyl)-2-(cyclopropylmethyl)-6-nitroindole (CID 143475903) is 1-(3-chloropropyl)-2-(cyclopropylmethyl)-6-nitroindole.
What is the SMILES notation for 1-(3-chloropropyl)-2-(cyclopropylmethyl)-6-nitroindole?
The canonical SMILES for 1-(3-chloropropyl)-2-(cyclopropylmethyl)-6-nitroindole is O=[N+]([O-])c1ccc2cc(CC3CC3)n(CCCCl)c2c1.
What is the InChIKey of 1-(3-chloropropyl)-2-(cyclopropylmethyl)-6-nitroindole?
The InChIKey is ZQEGORIGQIYGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c16-6-1-7-17-14(8-11-2-3-11)9-12-4-5-13(18(19)20)10-15(12)17/h4-5,9-11H,1-3,6-8H2.
What are the key properties of 1-(3-chloropropyl)-2-(cyclopropylmethyl)-6-nitroindole?
1-(3-chloropropyl)-2-(cyclopropylmethyl)-6-nitroindole has a molecular weight of 292.77 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropyl)-2-(cyclopropylmethyl)-6-nitroindole is sourced from PubChem (CID 143475903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).